116
 energy: -148.461528191752 gnorm: 0.265354237621 xtb: 6.5.1 (b24c23e)
N           -2.70447720000000       -3.53976944000000        2.42643444000000
C           -2.11140635000000       -4.50907852000000        1.49217949000000
C           -2.28840184000000       -5.92523261000000        2.00822517000000
N           -3.65878473000000       -6.08492278000000        2.53348719000000
C           -4.67175105000000       -6.07161366000000        1.46699819000000
C           -6.03276641000000       -5.75191992000000        2.05037390000000
N           -5.96214622000000       -4.65981894000000        3.03173447000000
Mo          -4.04615989000000       -4.33566566000000        3.74302475000000
N           -3.13846347000000       -5.52029370000000        5.11573472000000
C           -3.03448435000000       -6.93971535000000        4.73965710000000
C           -3.80152719000000       -7.22618753000000        3.45869846000000
H           -3.44050661000000       -7.60975816000000        5.52405230000000
H           -1.98099240000000       -7.25557813000000        4.59964970000000
H           -4.87422704000000       -7.32807320000000        3.67061658000000
H           -3.44930058000000       -8.17143536000000        2.99781370000000
H           -6.68015701000000       -5.49872682000000        1.19194798000000
H           -6.47481058000000       -6.67211857000000        2.48679542000000
H           -4.38193927000000       -5.28238909000000        0.76181135000000
H           -4.69627347000000       -7.03540159000000        0.92034546000000
H           -1.02439400000000       -4.36102245000000        1.35803595000000
H           -2.54306942000000       -4.42282409000000        0.47417200000000
H           -1.59831437000000       -6.09904973000000        2.84407321000000
H           -2.07415855000000       -6.67078848000000        1.21866946000000
C           -2.43550754000000       -2.14089668000000        1.98816534000000
C           -0.93434318000000       -1.91316882000000        1.67396186000000
C            0.03902170000000       -2.35310565000000        2.76553430000000
C            1.49492735000000       -2.17576301000000        2.33583686000000
C            2.50991239000000       -2.80668686000000        3.26932293000000
Cl           2.42362413000000       -4.62137335000000        3.23085277000000
C           -2.88903065000000       -1.16328887000000        3.08193553000000
C           -2.85753419000000        0.31250660000000        2.67933543000000
C           -3.70969227000000        0.55747639000000        1.43195814000000
C           -3.27665148000000       -0.36271175000000        0.28959839000000
C           -3.28262122000000       -1.83240985000000        0.72228707000000
C           -7.32690226000000       -4.35919314000000        3.55340426000000
C           -7.81514071000000       -5.47154635000000        4.52235626000000
C           -6.91998992000000       -5.69746630000000        5.73814115000000
C           -7.18120106000000       -7.00647859000000        6.49009552000000
C           -8.55762434000000       -7.03864116000000        7.12681901000000
Cl          -8.80512602000000       -8.54552054000000        8.10523897000000
C           -7.37897114000000       -3.00299225000000        4.28122616000000
C           -7.02685467000000       -1.82751998000000        3.36804972000000
C           -7.97714582000000       -1.75462892000000        2.17029978000000
C           -8.04348414000000       -3.09998458000000        1.44081343000000
C           -8.37610173000000       -4.23166654000000        2.41390761000000
C           -2.54049491000000       -5.25406980000000        6.47473043000000
C           -3.66735329000000       -5.47455970000000        7.50996380000000
C           -3.37557527000000       -5.15730547000000        8.97646859000000
C           -4.59902213000000       -5.40159622000000        9.85961429000000
C           -4.40087306000000       -5.06002180000000       11.32356129000000
Cl          -3.15966753000000       -6.12398862000000       12.11419946000000
C           -1.33899601000000       -6.18104671000000        6.79222225000000
C           -0.10894502000000       -5.77335396000000        5.98117502000000
C            0.44054702000000       -4.42377539000000        6.49071084000000
C           -0.65336014000000       -3.62329879000000        7.21407886000000
C           -2.00890991000000       -3.78991505000000        6.52346248000000
H           -0.67781039000000       -2.43455559000000        0.73653623000000
H           -0.77560989000000       -0.84549708000000        1.45678824000000
H           -0.14583245000000       -3.40745600000000        3.02028499000000
H           -0.13704007000000       -1.78189660000000        3.69239491000000
H            1.64279698000000       -2.58468596000000        1.32252210000000
H            1.73997103000000       -1.09998227000000        2.27335536000000
H            2.34218259000000       -2.52368011000000        4.31688919000000
H            3.53955258000000       -2.55829328000000        2.98739892000000
H           -3.92741854000000       -1.43972442000000        3.31082497000000
H           -2.29177045000000       -1.33056889000000        3.99343243000000
H           -1.82238271000000        0.64612883000000        2.49077407000000
H           -3.22642950000000        0.92455253000000        3.51829977000000
H           -3.65357648000000        1.61363221000000        1.12394656000000
H           -4.76760308000000        0.35199720000000        1.67667665000000
H           -2.26844452000000       -0.07270390000000       -0.05298126000000
H           -3.94327724000000       -0.23313200000000       -0.57850344000000
H           -2.94227216000000       -2.46268360000000       -0.11373723000000
H           -4.31669315000000       -2.14226661000000        0.95723778000000
H           -8.84212034000000       -5.21847645000000        4.83697467000000
H           -7.89886091000000       -6.41718727000000        3.95892897000000
H           -7.01196235000000       -4.85425200000000        6.44481852000000
H           -5.86837253000000       -5.70252281000000        5.40191852000000
H           -6.42312326000000       -7.13622524000000        7.27831770000000
H           -7.07780296000000       -7.86108527000000        5.80155299000000
H           -9.36380247000000       -7.02985899000000        6.38428029000000
H           -8.70087124000000       -6.20066865000000        7.82156214000000
H           -6.74792247000000       -3.02944179000000        5.17569016000000
H           -8.41163636000000       -2.87556209000000        4.65062386000000
H           -7.05323432000000       -0.87988139000000        3.93221782000000
H           -5.99863853000000       -1.97181266000000        2.99343592000000
H           -7.66296588000000       -0.95526594000000        1.48008286000000
H           -8.98886350000000       -1.48849844000000        2.52620118000000
H           -7.06869445000000       -3.30154274000000        0.96573933000000
H           -8.79338146000000       -3.05955406000000        0.63481358000000
H           -8.50701247000000       -5.18612443000000        1.88408149000000
H           -9.34811820000000       -4.02161908000000        2.89325408000000
H           -4.52835817000000       -4.87099841000000        7.17653669000000
H           -3.99597752000000       -6.52682683000000        7.43638074000000
H           -2.54207716000000       -5.77129627000000        9.35002055000000
H           -3.06216373000000       -4.10462676000000        9.08610143000000
H           -4.92852343000000       -6.44976327000000        9.77052032000000
H           -5.44156653000000       -4.78060743000000        9.50265294000000
H           -4.03910333000000       -4.03251130000000       11.45931333000000
H           -5.31998805000000       -5.19954231000000       11.90443691000000
H           -1.60509811000000       -7.23331283000000        6.63469295000000
H           -1.10301363000000       -6.09855888000000        7.86476193000000
H           -0.40236813000000       -5.67585864000000        4.92300019000000
H            0.66965814000000       -6.54905129000000        6.02083338000000
H            1.29044208000000       -4.58733796000000        7.17177342000000
H            0.82859284000000       -3.84090841000000        5.64256818000000
H           -0.38498784000000       -2.55527202000000        7.24569038000000
H           -0.72887371000000       -3.94837434000000        8.26402842000000
H           -2.74211728000000       -3.13914657000000        7.02423776000000
H           -1.91233685000000       -3.44766893000000        5.47884956000000
N           -4.47951646000000       -2.61696559000000        5.22736804000000
H           -5.11417122000000       -1.86912904000000        4.92964846000000
H           -3.58269311000000       -2.16793919000000        5.42284905000000
H           -4.82480361000000       -2.95424245000000        6.13112822000000
N           -4.82365026000000       -3.15043617000000        2.42170127000000
N           -5.44902665000000       -2.67325350000000        1.41952628000000
116
 energy: -148.526775117049 gnorm: 0.120510399593 xtb: 6.5.1 (b24c23e)
N           -2.63604364764238       -3.52767448852734        2.42971255521033
C           -2.09724635895824       -4.50990160489204        1.49781547734116
C           -2.29620485010098       -5.92707714391346        2.01306925723131
N           -3.65824871296106       -6.07424892254484        2.53819052805127
C           -4.66515944077233       -6.07377146490130        1.47687589239902
C           -6.03862322048296       -5.76682398746264        2.05421203478937
N           -6.00553180093544       -4.74361178319175        3.09172241139767
Mo          -4.04752544174587       -4.32614643841346        3.70529845848463
N           -3.14611751952517       -5.51489572718110        5.10950998479972
C           -3.03774114508748       -6.92772058640427        4.73791220452931
C           -3.80057802788928       -7.21397941466473        3.44997181026798
H           -3.44494562241395       -7.59724367576023        5.52098019901678
H           -1.98784877449588       -7.24411636993765        4.59369925910845
H           -4.86781325771800       -7.32276792591525        3.67127484954355
H           -3.44773283372594       -8.15767519092042        2.99407916217190
H           -6.67350199707142       -5.48792209018125        1.19915979390781
H           -6.47651748356945       -6.68551985734259        2.47974657455384
H           -4.38896904793935       -5.28364014771786        0.77166514550856
H           -4.69025893142294       -7.03293402257189        0.92817134302375
H           -1.01893302534462       -4.36792263807352        1.35348259478128
H           -2.54876188162384       -4.41563898301189        0.49059798265853
H           -1.60414800987999       -6.09768972130738        2.84241694537833
H           -2.08262226043979       -6.66755624291492        1.22256818750045
C           -2.41748844755573       -2.13400734098790        1.97314638908377
C           -0.91868874453592       -1.90959159307386        1.67138434518756
C            0.04361657070353       -2.35446557834926        2.77112886359047
C            1.49763949272536       -2.17444923724007        2.33367618603043
C            2.50846577252902       -2.80724422202175        3.27177192926326
Cl           2.41696855663879       -4.61097371427115        3.22885532369272
C           -2.88316068185035       -1.16379926470609        3.07471826533476
C           -2.85338170762725        0.31111248862172        2.67480491121811
C           -3.70907417435047        0.55294784212930        1.43219111474722
C           -3.25339148498311       -0.34438710989277        0.28219686269043
C           -3.21751672098265       -1.80587217835133        0.68577505042352
C           -7.34706765050437       -4.36461779753703        3.55749706582505
C           -7.82594317095409       -5.47644045073091        4.52893614171373
C           -6.91832718639025       -5.69652233123728        5.73808387357151
C           -7.18272735267792       -7.00724226301345        6.48781981493089
C           -8.55975490166731       -7.03548653952221        7.12636036464258
Cl          -8.79739799430910       -8.53697226237506        8.09764124643985
C           -7.39359803085805       -3.00624633870190        4.28644721718367
C           -7.05887087797130       -1.81461567831355        3.39172701478085
C           -7.99162144083801       -1.75742846824110        2.18083625559362
C           -8.05805842697768       -3.10040130345359        1.44890275579172
C           -8.39034958197586       -4.23055065609670        2.41907928653304
C           -2.54457834431231       -5.25889444302985        6.46115857948666
C           -3.66867793586683       -5.47483409777135        7.50911181009723
C           -3.37426063486758       -5.15578051804771        8.97726063143576
C           -4.60279669749223       -5.40170664952839        9.85651101724184
C           -4.39782541657294       -5.05863661266911       11.32130408285939
Cl          -3.16422165818285       -6.12073427161231       12.10218001127159
C           -1.34076750188860       -6.17744018229331        6.79429197567237
C           -0.11351292678277       -5.76833338941924        5.98193008988162
C            0.43753006204035       -4.42523869346697        6.49030380020826
C           -0.65653405577335       -3.63009148856772        7.21122465694486
C           -2.00993182287246       -3.79746776167512        6.51598909912600
H           -0.67195381411401       -2.43125344774803        0.73976289935597
H           -0.77148445206139       -0.84658685893769        1.46436009872687
H           -0.14091078695352       -3.40424631256188        3.01994311946630
H           -0.13331594484253       -1.77897240638887        3.68696882493460
H            1.63929817567925       -2.58708011918145        1.32766396010218
H            1.73605106401855       -1.10381016433398        2.27399209231578
H            2.34020644186755       -2.52332538148959        4.31323307854091
H            3.53314076206294       -2.55972554305761        2.98692377662982
H           -3.91807389295508       -1.42493795465789        3.29993769017194
H           -2.28646949250919       -1.32368679303760        3.98257688177451
H           -1.82551188727803        0.64294543153599        2.48835509299195
H           -3.22807244818726        0.91696920372953        3.51043369257717
H           -3.65080172554094        1.60514350176749        1.12904898587501
H           -4.75941994581565        0.34324074254218        1.67296183928588
H           -2.25671987104043       -0.04766224742510       -0.05815455994088
H           -3.93609728970871       -0.23153360558179       -0.56955309681580
H           -2.90183596419774       -2.44459529429146       -0.14031843607016
H           -4.26088680308892       -2.11469045913921        0.91689490686732
H           -8.84155502862981       -5.21923906689131        4.84667770209518
H           -7.90123986369191       -6.41466922650668        3.96578029365953
H           -7.02132963076006       -4.86109347958501        6.44244083466206
H           -5.87134491254602       -5.70021925991516        5.39327179708917
H           -6.42784860411224       -7.13199834114312        7.27276183590679
H           -7.08100186408245       -7.85646920696621        5.80244675017799
H           -9.35972480667322       -7.03067689456409        6.38464664822016
H           -8.69907635990115       -6.20268102865132        7.81971567506460
H           -6.75502550809445       -3.03332123866288        5.16994271532752
H           -8.41926612814263       -2.87873841600246        4.65311723829373
H           -7.08631853099424       -0.87177004234630        3.94858320338221
H           -6.04567469559323       -1.94479595821547        3.02446725847211
H           -7.66249754367225       -0.97102819061221        1.49013466896680
H           -8.99755251829178       -1.48941431175906        2.52624929282528
H           -7.08643217876993       -3.29608110076059        0.97961189930639
H           -8.80253397517138       -3.05786038137936        0.64567436905942
H           -8.51355616474061       -5.17839899827632        1.88719594660186
H           -9.35518124375334       -4.01813891739101        2.89315254561548
H           -4.52631071068101       -4.87035822243627        7.18307170606221
H           -3.98942132205586       -6.52277164632473        7.43988749584743
H           -2.55002470009372       -5.77264667247144        9.34800442833681
H           -3.06607967176918       -4.10862340902592        9.08440874548457
H           -4.92152924801439       -6.44689607378451        9.77063375861899
H           -5.43838989170478       -4.78218613962235        9.50125808884376
H           -4.03782152666655       -4.03591492890689       11.45547675349219
H           -5.31445373743412       -5.20066656290702       11.89813288322004
H           -1.59740078453342       -7.22639811046873        6.63583748456969
H           -1.10265694156369       -6.09335509768989        7.85896615300759
H           -0.40128608217725       -5.66946596872592        4.92928295560712
H            0.66206537323953       -6.54064134554789        6.02791895904843
H            1.28072400302425       -4.58904771352697        7.17083688483119
H            0.82110811289696       -3.84597434639991        5.64522238870009
H           -0.38817773311592       -2.56597974752871        7.23785523063345
H           -0.72946017417696       -3.95142117463261        8.25605107449870
H           -2.73383652496650       -3.15133652309445        7.02701318709051
H           -1.90844539055655       -3.45565732384930        5.47597678907922
N           -4.46922256906080       -2.60738719171223        5.24435289408448
H           -5.11176437581697       -1.87960156758184        4.92948925715510
H           -3.58083012418325       -2.15277518010330        5.43398887141586
H           -4.82151052586366       -2.95682031172961        6.13531725300800
N           -4.88913098477284       -3.22796853617759        2.38956787750700
N           -5.38811051893682       -2.75621262466749        1.43328218419250
116
 energy: -148.551648243194 gnorm: 0.168599935805 xtb: 6.5.1 (b24c23e)
N           -2.55879665599284       -3.51918392292837        2.44781418092105
C           -2.07855340568460       -4.50511555583817        1.50333818187932
C           -2.30805503054324       -5.92174489060572        2.02048928288644
N           -3.66517728922223       -6.04776218899778        2.54409798714529
C           -4.66559557266556       -6.07328921812329        1.48852461362817
C           -6.05197279439222       -5.78309541392479        2.06638992527615
N           -6.03442223806972       -4.81386761158163        3.14630852214407
Mo          -4.04216569405690       -4.28221905233032        3.70398338523679
N           -3.14202246999886       -5.51275566408656        5.10590896505275
C           -3.03742751365681       -6.91428624473494        4.73360354559583
C           -3.80149194117039       -7.19144977879829        3.43984269404287
H           -3.45076278565200       -7.58170063000354        5.51456669816555
H           -1.99132634133282       -7.23394682640974        4.58625382875752
H           -4.86316434166184       -7.31005569095180        3.67189205347883
H           -3.44560020429215       -8.13083199258081        2.98253568265840
H           -6.66848045402647       -5.47425147799340        1.21065565054200
H           -6.48638218091178       -6.71581821878807        2.45916640982770
H           -4.40456197372622       -5.28547222515861        0.77840367063472
H           -4.68477170617506       -7.03257152437415        0.94382401227537
H           -1.00336549685104       -4.38873642738583        1.33772080791340
H           -2.55769649215702       -4.40446278367088        0.50855559253471
H           -1.61462823962969       -6.09427462172668        2.84463544153769
H           -2.09897970242634       -6.65991765851142        1.22892163572471
C           -2.39058622571297       -2.13637746135570        1.96267279627107
C           -0.89432408214368       -1.89783931658375        1.66922736331378
C            0.05347110618928       -2.35191120700272        2.77639670822675
C            1.50510466145883       -2.17225807020423        2.33299482476879
C            2.51077468896021       -2.80984333271600        3.27500940269031
Cl           2.40697637626255       -4.60002017041375        3.22679012512370
C           -2.87543232535293       -1.16733477050799        3.06188645194337
C           -2.84658876569677        0.30951675361663        2.66929731439695
C           -3.70156796021700        0.54918652400684        1.42924153132643
C           -3.22232379836373       -0.33025885018474        0.27617596256317
C           -3.17458450353349       -1.78970847278152        0.66666474994514
C           -7.35718485147071       -4.38238439855133        3.56385404161887
C           -7.85523274493042       -5.48081709941617        4.54419676524244
C           -6.92513363017140       -5.69380550443771        5.73975835662572
C           -7.18427747785406       -7.00766405007839        6.48565246222132
C           -8.56206536063863       -7.03420572037308        7.12646799780902
Cl          -8.78848577462962       -8.52895820407041        8.09015699578807
C           -7.40661215228324       -3.01800056611585        4.29152032200999
C           -7.08266003524118       -1.81568985202979        3.40440525535436
C           -8.01298007330597       -1.75843132745112        2.19175557833770
C           -8.07558563315554       -3.10197706931396        1.46304518542528
C           -8.40390572204038       -4.23551549092879        2.42989495324344
C           -2.54864047787862       -5.26115719496600        6.44934804297434
C           -3.67279348536949       -5.47620937214971        7.50665112369365
C           -3.37249096754842       -5.15436888176175        8.97538197030241
C           -4.60586562002362       -5.40148579249852        9.85131596909573
C           -4.39389388147016       -5.05833106976310       11.31813058900664
Cl          -3.16775172813885       -6.11814248438272       12.08490796853238
C           -1.34484187562946       -6.17603885939365        6.79160047433001
C           -0.11714974261302       -5.76543005898322        5.98143069797536
C            0.43431363048952       -4.42762565763558        6.48988775495752
C           -0.66022207775853       -3.63624675663246        7.20710210169621
C           -2.01155871543529       -3.80307834184923        6.50739169801164
H           -0.65379024940848       -2.42422903690374        0.74494571200521
H           -0.75146428119631       -0.83870078503569        1.47204791264397
H           -0.13439531242635       -3.39781913699438        3.01837518964589
H           -0.12540413793798       -1.77270529515834        3.68261689432886
H            1.63817969390499       -2.59146139633899        1.33386515006401
H            1.73620961199657       -1.10569088286439        2.27458195769320
H            2.33795034503008       -2.52124128806895        4.31045937150022
H            3.53156730003123       -2.56131017219375        2.98807091097391
H           -3.90816002074730       -1.41842006868913        3.28361698954336
H           -2.27772078257211       -1.32090566400007        3.96451777811912
H           -1.82536816591014        0.64143425201868        2.48353869010246
H           -3.22911527593605        0.90803415332909        3.50261279555875
H           -3.64704354042459        1.59961882513733        1.13341324981158
H           -4.74533827682624        0.32717476642464        1.66281579420782
H           -2.23920775321971       -0.00579380707668       -0.06146935181522
H           -3.91707161677837       -0.22619804146685       -0.56269558507972
H           -2.85197338512201       -2.41497838587433       -0.15984518984761
H           -4.22493582497068       -2.08011253832899        0.85325937550934
H           -8.86099381137233       -5.22677624155101        4.87267245214576
H           -7.91432897906031       -6.41215958560328        3.97808634028954
H           -7.03408599349660       -4.86654485460716        6.44374540628308
H           -5.88494886871526       -5.69543227244364        5.38144856091404
H           -6.43112543373112       -7.12707949731112        7.26738574200157
H           -7.08628772828157       -7.85163239709950        5.80111959602526
H           -9.35619980799061       -7.03059603065305        6.38348696888098
H           -8.69654288440175       -6.20303773008734        7.81695374096631
H           -6.75944464389396       -3.04225305974301        5.16430028781810
H           -8.42826736589896       -2.89388836664217        4.65724455831355
H           -7.13740284264080       -0.87990664154564        3.96501962304939
H           -6.07025967292285       -1.91177132612233        3.05441899129254
H           -7.66708047432369       -0.98459570746533        1.50120394589749
H           -9.01534986108771       -1.48791590724342        2.52729192450450
H           -7.11534509068905       -3.29310413325412        0.98765594264791
H           -8.82162654023078       -3.05470601982631        0.66737132399991
H           -8.52355221566468       -5.17427481263828        1.88977677297905
H           -9.36425412458792       -4.01975778514066        2.89964721531783
H           -4.52701366067859       -4.87055608169935        7.18831079914635
H           -3.98393431155393       -6.52137014519350        7.44283116667043
H           -2.55791593441433       -5.77585260740211        9.34510491778289
H           -3.06979286112945       -4.11134680507901        9.08135128434276
H           -4.91330085176215       -6.44520682469784        9.76958449769929
H           -5.43594817719036       -4.78351723205773        9.49755610273334
H           -4.03584710071364       -4.03817310763864       11.44802993578327
H           -5.31027187952695       -5.20098535867457       11.89055586268815
H           -1.59036287054334       -7.22388653746982        6.63346833135627
H           -1.10765405062584       -6.08403677731615        7.85034790562328
H           -0.40128199704743       -5.66290383334141        4.93379179883394
H            0.65512153971860       -6.53580927003482        6.03514848972853
H            1.27105286191613       -4.59209080744375        7.17169905353742
H            0.81340556795651       -3.85036455733278        5.64708114803516
H           -0.39407707283056       -2.57474584126307        7.22763437989468
H           -0.73320953434890       -3.95607755115121        8.24741759510031
H           -2.72830788091447       -3.16337646805084        7.02706139579695
H           -1.90554916693956       -3.46412381146650        5.47104417307561
N           -4.46866160829379       -2.58304786286552        5.25928198439908
H           -5.11669918074439       -1.86959670008260        4.94294912068186
H           -3.58044427536975       -2.13560525048552        5.44464769844513
H           -4.81815350260942       -2.96355431290042        6.13467247448785
N           -4.88154764324639       -3.33892702950469        2.32137493659512
N           -5.35429053806208       -2.87028532937197        1.45696511658949
116
 energy: -148.568282614557 gnorm: 0.031803491298 xtb: 6.5.1 (b24c23e)
N           -2.52020931508562       -3.50915218340828        2.46167817829771
C           -2.06700874717659       -4.49848174499503        1.50803610573424
C           -2.31217220081026       -5.91477339255644        2.02241768283382
N           -3.66802596792632       -6.04184150077304        2.53802718331048
C           -4.67371955666536       -6.07543146178570        1.49464990850976
C           -6.06502122655294       -5.80435241210825        2.08128482869671
N           -6.05780223600980       -4.86505942575250        3.18895384407592
Mo          -4.03470903344314       -4.30748079294083        3.68668848294476
N           -3.13526418996197       -5.50344081542489        5.11212625938023
C           -3.03788009954641       -6.89799670811275        4.73180239790575
C           -3.80219599206817       -7.17569225124808        3.43853503288225
H           -3.45592645597620       -7.56436207285409        5.51060770657242
H           -1.99357420536576       -7.22075527026430        4.58221287260829
H           -4.86200757017296       -7.29626169037999        3.67295172270024
H           -3.44303661222430       -8.10967206392998        2.97524927128158
H           -6.67025892624211       -5.46442165612611        1.22762109168560
H           -6.50146090094128       -6.75614397590365        2.43320170598926
H           -4.42502653246226       -5.28726869550559        0.78116953498239
H           -4.68165958366050       -7.03632796236384        0.95427738885693
H           -0.98974844367363       -4.40716865688448        1.32084302086708
H           -2.56517390097842       -4.38912309828961        0.52316940349809
H           -1.62193694563414       -6.09287957477045        2.84771478621797
H           -2.11017795965173       -6.65348976497043        1.23039695709838
C           -2.36238585307317       -2.13244598257012        1.95877724333194
C           -0.86830248093235       -1.88499549776728        1.66837266906624
C            0.06692924483267       -2.34566487820361        2.78031394846256
C            1.51551988576202       -2.16943843229261        2.33392131264325
C            2.51599299725589       -2.81022199718332        3.27794949656572
Cl           2.39660496537419       -4.59459167602112        3.22584936137463
C           -2.86198058844357       -1.16536966149366        3.05145251218775
C           -2.83701124293427        0.31141787091332        2.66405184555755
C           -3.68837201821140        0.54957198546364        1.42377483089581
C           -3.18374785801513       -0.31156572938365        0.26767734847434
C           -3.12636926345883       -1.77719807593820        0.64833404140187
C           -7.37738776454629       -4.40233051352255        3.57831170040753
C           -7.88968637981309       -5.48903511722560        4.56390751437166
C           -6.93943844037317       -5.69322376281242        5.74472800266375
C           -7.18599021968400       -7.00868736020188        6.48699689016460
C           -8.56308100098067       -7.03508148125502        7.12844712982053
Cl          -8.78125538373444       -8.52777915264368        8.08903013257980
C           -7.42156720022563       -3.03185959671407        4.29926706946885
C           -7.10964855623278       -1.82138657517249        3.41572195479888
C           -8.03903134114590       -1.76218679960339        2.20431278751360
C           -8.09926842334085       -3.10464172710287        1.47686204839207
C           -8.42134125546760       -4.24328741169665        2.44087878171724
C           -2.54847036701373       -5.26032441148134        6.45026845084920
C           -3.67480520175673       -5.47627490700795        7.50582379431219
C           -3.37227766612470       -5.15341338086400        8.97275510277825
C           -4.60674702123045       -5.40081219578158        9.84604967903893
C           -4.39084226120356       -5.05735938257481       11.31248407230748
Cl          -3.16545790699070       -6.11838969641267       12.06787315241232
C           -1.34598382022232       -6.17501941217195        6.79147434011455
C           -0.11946357284098       -5.76437628774150        5.98076135711534
C            0.43203876324966       -4.42876766715231        6.48906054104787
C           -0.66312520707058       -3.63868802390726        7.20287474897590
C           -2.01245127023494       -3.80510603242399        6.50230544144194
H           -0.62503243294294       -2.41331968729608        0.74634934244855
H           -0.72298318888816       -0.82562142114594        1.47781589279388
H           -0.12630647274647       -3.39094845133824        3.01869060662841
H           -0.11323056988091       -1.76366007437394        3.68369175510964
H            1.64226337906921       -2.59516632699541        1.33720153463051
H            1.74434277639354       -1.10351444993551        2.27287628626840
H            2.33864552384853       -2.51738397713339        4.31138570529753
H            3.53691217809191       -2.56381472417440        2.99118903517967
H           -3.89700685306902       -1.41717116056483        3.26323614348935
H           -2.26700953578252       -1.31791546982259        3.95454702783191
H           -1.81769507415067        0.64700073908513        2.48050209822504
H           -3.22856475345772        0.90220994345479        3.49776559166616
H           -3.64681588953602        1.60241674567780        1.13770920916756
H           -4.72974749503630        0.30646130554990        1.64868491898684
H           -2.20858891240517        0.04332263780629       -0.06607943780322
H           -3.88369642540843       -0.21426937781803       -0.56730148777537
H           -2.77810501601158       -2.38262353795431       -0.18557477705373
H           -4.17521836273838       -2.05567155764833        0.80120571450647
H           -8.89054483401811       -5.23480317018076        4.90414383390289
H           -7.94353720018077       -6.41935967463545        3.99699234071385
H           -7.04823943484771       -4.86892140495728        6.45080836772903
H           -5.90516699097061       -5.68898098181484        5.37028059259615
H           -6.43076550042322       -7.12502453870818        7.26606008729653
H           -7.09033849497532       -7.84967546739232        5.79933337966319
H           -9.35534755523351       -7.03142043789251        6.38345269069587
H           -8.69563252832159       -6.20194460444034        7.81688665203153
H           -6.76755471243064       -3.05422551796385        5.16634637495239
H           -8.44201695015237       -2.91102785806562        4.66896965911761
H           -7.19283622377131       -0.89070575449094        3.98732124374650
H           -6.09297060045100       -1.89070865021087        3.05945999071123
H           -7.68205558097697       -0.99419996492246        1.51409384125872
H           -9.04157426946312       -1.48738780272006        2.53404309118954
H           -7.14301915044297       -3.28841909832501        0.99380957190888
H           -8.85217451178984       -3.05529911002786        0.68801163058296
H           -8.54246761322719       -5.17668277730719        1.89317186017964
H           -9.38086185189157       -4.02607731945781        2.91146094521096
H           -4.52964978938545       -4.87119341863268        7.19057702454937
H           -3.98054872368113       -6.52220679904985        7.44434885289549
H           -2.56153864494087       -5.77861539097068        9.34281053666720
H           -3.07076372729515       -4.11071839978916        9.07860608783037
H           -4.90793202372987       -6.44595036788335        9.76663001518267
H           -5.43668988936266       -4.78423412460326        9.49185182625520
H           -4.03265010748252       -4.03689654515013       11.43944341088341
H           -5.30720153631707       -5.19993161203113       11.88461932003496
H           -1.58611856449699       -7.22360551897477        6.63344064307656
H           -1.10953288478004       -6.07670803332004        7.84907117561875
H           -0.40254632222599       -5.65859620950347        4.93384162580792
H            0.65130954783090       -6.53460979287636        6.03920949018904
H            1.26557714604640       -4.59423793310767        7.17358752376714
H            0.80970483548121       -3.85217528397573        5.64594766996621
H           -0.39891186843308       -2.57763967782156        7.21901970682908
H           -0.73816724574687       -3.95917589904378        8.24218163995556
H           -2.72770021230212       -3.16868190560627        7.02509336111604
H           -1.90506855249781       -3.47130020382401        5.46453031523395
N           -4.46369400616447       -2.57181520946674        5.25811810497588
H           -5.12063119350968       -1.86231287547520        4.95484523571321
H           -3.57959838159980       -2.11853693939536        5.45266190349962
H           -4.80809902573842       -2.97467174467137        6.12671059187603
N           -4.88467271218200       -3.41636108729993        2.32044758683331
N           -5.32589656821042       -2.91858062809214        1.39869387897398
116
 energy: -148.577192521392 gnorm: 0.025748283196 xtb: 6.5.1 (b24c23e)
N           -2.49598709289091       -3.49586751078865        2.46008960869204
C           -2.06327121780601       -4.49191818591725        1.50406500800750
C           -2.31873548891978       -5.90679141264828        2.01914976383166
N           -3.67420921173020       -6.02738877454379        2.53646101050276
C           -4.68421112270270       -6.08352547935318        1.49824451448235
C           -6.07808881031530       -5.82115257315652        2.09110268021557
N           -6.07286247587149       -4.89560692199638        3.20797469083744
Mo          -4.03370100136326       -4.29819483481559        3.67996394914797
N           -3.12919106238660       -5.48566251123598        5.10696568143912
C           -3.03864221129145       -6.87972869176531        4.72928259527137
C           -3.80380412054514       -7.15916394961236        3.43842477241987
H           -3.46111198761120       -7.54393754151021        5.50752491582232
H           -1.99520421608776       -7.20755383518931        4.58066389687406
H           -4.86273616764241       -7.27848823171052        3.67500296973321
H           -3.44211221618071       -8.08895321663187        2.96919405648215
H           -6.68127840367358       -5.45702985543074        1.24692083796450
H           -6.52051745601367       -6.78575729109799        2.40924375329258
H           -4.45403869402673       -5.29892973136994        0.77393017989951
H           -4.68063024811394       -7.05172857369478        0.97040573553594
H           -0.98432860175438       -4.42273085112455        1.29648772463858
H           -2.57639768097908       -4.36850941538596        0.53011135232644
H           -1.63111190941883       -6.08866022905087        2.84677222882586
H           -2.12261772975037       -6.64761544351565        1.22749260967883
C           -2.33425898885519       -2.12248199803822        1.95220836761814
C           -0.83754688261763       -1.87033952939389        1.67198179319399
C            0.09141436206880       -2.33319585720849        2.78545083964094
C            1.53899547656054       -2.16490974005150        2.33828737562111
C            2.53212668473186       -2.81197020059502        3.28491037576069
Cl           2.38915317798992       -4.59143388158672        3.23073203166998
C           -2.84525352726900       -1.16147437572664        3.04145662770092
C           -2.82309894361331        0.31691858442959        2.66200929834847
C           -3.66746860263329        0.55381383817073        1.41805865636645
C           -3.13692888091002       -0.29156027433873        0.26235006691129
C           -3.08572922286458       -1.76738219702894        0.63079131545232
C           -7.39302095217429       -4.42264265089399        3.58840394710393
C           -7.92498113503928       -5.49590653078461        4.58367396962376
C           -6.96569977184212       -5.69498865652082        5.75690565510792
C           -7.19212986352322       -7.01339893079414        6.49489220286796
C           -8.56766106751175       -7.04434048581209        7.13797470967300
Cl          -8.78014908448409       -8.53457062358477        8.09746707483191
C           -7.43074006262203       -3.05118832995903        4.30823669454862
C           -7.13662743128194       -1.83649060280791        3.42312175127708
C           -8.07510268953759       -1.77264913403372        2.22074695130664
C           -8.13450771320609       -3.11333812177700        1.49324536174913
C           -8.44183601879731       -4.26026278533519        2.45380851432589
C           -2.54849094505281       -5.25638049597563        6.44440489047500
C           -3.67565073589324       -5.47626523443131        7.49898205243344
C           -3.37315821012368       -5.15345046471642        8.96497824366696
C           -4.60768335152537       -5.40110875709434        9.83717161746693
C           -4.38696105887366       -5.05760455856576       11.30315485992511
Cl          -3.15991112218201       -6.12000029737922       12.04660668194012
C           -1.34889459046868       -6.17368260175888        6.78894867885374
C           -0.12116609494001       -5.76490989310895        5.97886413592679
C            0.42996809345477       -4.42940006242343        6.48802587685626
C           -0.66516229382612       -3.63681861088640        7.19904924938307
C           -2.01377924065023       -3.80288508534349        6.49896469049973
H           -0.58219499498011       -2.39546999823265        0.75066464870493
H           -0.68552267475740       -0.81015199263060        1.48745696957875
H           -0.10992401611738       -3.37769777179292        3.02120456461438
H           -0.08827933588854       -1.74978330072171        3.68860153813732
H            1.66020484112616       -2.59750855486397        1.34333435531498
H            1.77132957203858       -1.10003490102243        2.27146667274002
H            2.34997712817461       -2.51380918914115        4.31677077610753
H            3.55627037326025       -2.57330351140584        3.00203615354026
H           -3.88279950927395       -1.42439468728030        3.23495715710041
H           -2.25695679678936       -1.31818445848716        3.94821063185094
H           -1.80421867596823        0.65878130103269        2.48342512351469
H           -3.22337954100289        0.89977501560441        3.49685718427472
H           -3.64483568391350        1.61070893481551        1.14263438085023
H           -4.70630990508834        0.28260588118985        1.62806643707824
H           -2.16364806903422        0.08682350134184       -0.05610418759007
H           -3.82411365600900       -0.19516311449715       -0.58213730690427
H           -2.68804252329590       -2.34595218848863       -0.20633589998720
H           -4.13683245492756       -2.05084400771511        0.74177136223013
H           -8.92083160027270       -5.23490395101148        4.93711921012448
H           -7.99212749572315       -6.43064742357812        4.02536714824493
H           -7.07207999286475       -4.87240880401464        6.46593889653811
H           -5.93877669073221       -5.68086120865951        5.36536756941726
H           -6.43233376615657       -7.12761708858939        7.26997915657992
H           -7.09592815880245       -7.85012488783790        5.80144163911093
H           -9.35818494958010       -7.03930619711428        6.39017235076588
H           -8.69963564640659       -6.20668039375987        7.82224063207053
H           -6.76610120860708       -3.07117996940068        5.16806730057659
H           -8.44921004334992       -2.93643761667190        4.68855193258219
H           -7.24510992407772       -0.91575659881779        4.01157257136310
H           -6.11698865281657       -1.87731351393441        3.05107366984045
H           -7.71623162704835       -1.00580175321641        1.53106010999559
H           -9.07655793073218       -1.49312315785079        2.55230061607033
H           -7.17893281570796       -3.28620861211342        1.00244504549071
H           -8.89991042303793       -3.06637996718118        0.71475375857813
H           -8.56675911813566       -5.18935864090254        1.89875852656957
H           -9.39861724195014       -4.04771143354523        2.93483836959120
H           -4.53348664292123       -4.87424890402979        7.18548337061169
H           -3.97743171707474       -6.52376680889989        7.43919134168361
H           -2.56417997364773       -5.78090305345392        9.33607880693243
H           -3.07076709503925       -4.11066451716100        9.07196951410899
H           -4.90510472932653       -6.44779731682917        9.75947931292881
H           -5.43914646646711       -4.78648508130138        9.48251628869136
H           -4.02829166479564       -4.03605664327102       11.42657718087127
H           -5.30263270234804       -5.19820243893917       11.87767932478623
H           -1.58759576966785       -7.22307391874094        6.63182527500670
H           -1.11393442793941       -6.07168121758209        7.84696556318795
H           -0.40301550865197       -5.65756095553029        4.93129708225145
H            0.64743545761038       -6.53701445877931        6.03945801825659
H            1.26121348371242       -4.59622287088499        7.17532798916182
H            0.80976083859643       -3.85379533992662        5.64486232203652
H           -0.40197519014504       -2.57581844816837        7.21301564191314
H           -0.74396762677539       -3.95791889602061        8.23817080246693
H           -2.72991991452032       -3.16737074298502        7.02051473245953
H           -1.90626279782654       -3.47231224702373        5.45980790825651
N           -4.46323409806592       -2.55012652283175        5.25825365590375
H           -5.13266824239625       -1.84455044009921        4.97081699163865
H           -3.58337287159054       -2.08871392708654        5.45888834883444
H           -4.79692862961064       -2.97822441670525        6.11989442766419
N           -4.87438633975163       -3.45848642974461        2.29084462232588
N           -5.30814623832065       -3.00578525660983        1.34492682930671
116
 energy: -148.584047750414 gnorm: 0.026405463364 xtb: 6.5.1 (b24c23e)
N           -2.48764091119749       -3.48269691860012        2.44744573831728
C           -2.06910503397455       -4.48351605689255        1.49025157156564
C           -2.32718682652417       -5.89599227473215        2.00917008421661
N           -3.68237886160992       -6.01720336873878        2.53205695898466
C           -4.69903047865348       -6.09754427163387        1.49915651486710
C           -6.09294870743605       -5.83329368868902        2.09722537267991
N           -6.08479895270257       -4.91299089833292        3.21564360652688
Mo          -4.03608534440114       -4.28955178868239        3.66957788732235
N           -3.13058380365446       -5.46765608136867        5.10008589973684
C           -3.04231358142971       -6.86339015797062        4.72533557192612
C           -3.80734277277283       -7.14728524817311        3.43868538574154
H           -3.46593288379389       -7.52232499799551        5.50673208466505
H           -1.99799117174346       -7.19209580181255        4.58035929956383
H           -4.86611620322746       -7.26279874435879        3.67663237515395
H           -3.44463182787356       -8.07469324424410        2.96641634334775
H           -6.69637791936576       -5.45135313876174        1.26259888591770
H           -6.54477223486993       -6.80042152246418        2.39505018519805
H           -4.48308316946551       -5.32526953328356        0.75667531839678
H           -4.68475044515760       -7.07670006588958        0.99197305707116
H           -0.99072545050855       -4.42463690998016        1.26863838788348
H           -2.59359719536505       -4.35007956344314        0.52644470918877
H           -1.64028744719273       -6.07834131794442        2.83842698661254
H           -2.13422166488446       -6.63880649231150        1.21882712274994
C           -2.30519779344149       -2.11039409702083        1.94492086508436
C           -0.80410506449709       -1.85728815310132        1.67833377028405
C            0.12205910027773       -2.32005259687517        2.79263465219055
C            1.57057368080870       -2.16150479611361        2.34620382071836
C            2.55535823148274       -2.81538747413600        3.29623905661072
Cl           2.38913664212761       -4.59180482192333        3.24333862486490
C           -2.82645237883754       -1.15584421570089        3.03086560599374
C           -2.80762445355403        0.32458639558799        2.66195156573450
C           -3.64224234389739        0.55965390567497        1.41171927584933
C           -3.08421643522135       -0.26796018508875        0.25759614770576
C           -3.03957097994638       -1.75393118430689        0.61205671699756
C           -7.40887683945477       -4.44385795261074        3.59808631513576
C           -7.95385624507444       -5.50556540513211        4.60293475486547
C           -6.99306739796810       -5.70168979027515        5.77352796555378
C           -7.20225946803560       -7.02217525746499        6.50743180139618
C           -8.57543481740134       -7.06177405351527        7.15396675065221
Cl          -8.78409608935974       -8.54881913105157        8.11550669121681
C           -7.43895149096667       -3.07385076373089        4.31717301037434
C           -7.16824587989452       -1.85336786072836        3.43328812590334
C           -8.12087603913009       -1.78833707649906        2.24253677373566
C           -8.17484933764256       -3.12627993644195        1.51204280368643
C           -8.46498541633551       -4.28146832135818        2.46944268344504
C           -2.55093636369472       -5.24642784076703        6.43716021973943
C           -3.67821576490572       -5.47420816972179        7.48887744759015
C           -3.37607724908935       -5.15282262211556        8.95364039462575
C           -4.60919865101373       -5.40169768434407        9.82560137385708
C           -4.38256391677682       -5.05840100945295       11.29034823057035
Cl          -3.15206279455318       -6.12190485991847       12.02407787707073
C           -1.35386594431617       -6.16792203822262        6.78285228994103
C           -0.12294054036946       -5.76335876463130        5.97564617176654
C            0.42866166592875       -4.42810141343879        6.48668543425327
C           -0.66604179750645       -3.63180034005435        7.19555674842691
C           -2.01463113158445       -3.79468592562044        6.49633579007870
H           -0.53378092664843       -2.37736574861402        0.75664581639679
H           -0.64728044518613       -0.79515737456835        1.49812674376273
H           -0.08723968225350       -3.36372154934490        3.02845840389117
H           -0.05386945210263       -1.73454059441055        3.69669280367747
H            1.68961038840325       -2.59942827028408        1.35238519217313
H            1.81174895009115       -1.09803049297499        2.27259492296496
H            2.37159556312849       -2.51172070058042        4.32718430679235
H            3.58449680985758       -2.58921406141211        3.01870822391175
H           -3.86539992253859       -1.43348750866427        3.20845792808391
H           -2.24691928448842       -1.31894034647500        3.94261526469367
H           -1.78791724251879        0.67251541757060        2.49093055136987
H           -3.21519546480194        0.90152318706940        3.49728955829296
H           -3.64067871172402        1.62024597771562        1.14712730682485
H           -4.67769994436326        0.26154215404485        1.60559193692832
H           -2.10462263288234        0.11704116162796       -0.03262396874269
H           -3.74594831788990       -0.16420617006882       -0.60670572050798
H           -2.58890204547239       -2.30430426715510       -0.22261833189893
H           -4.08937375461367       -2.05233618280846        0.67444718575309
H           -8.94540988789699       -5.22637496816490        4.96115817231261
H           -8.04475381451155       -6.44722529141917        4.05688747622801
H           -7.10289760082882       -4.88090172990431        6.48596297465149
H           -5.97177545391482       -5.67289999841760        5.37129883542441
H           -6.43755587211509       -7.13432032051532        7.27862686216234
H           -7.10220471033346       -7.85529723064458        5.80892344941707
H           -9.36599934824759       -7.05704112602990        6.40493377958867
H           -8.70939734070294       -6.22006723177575        7.83468195666718
H           -6.75901783097354       -3.09315306544146        5.16598721280361
H           -8.45239385278411       -2.96360180702284        4.71615341240291
H           -7.28695633024350       -0.94382699925191        4.03636472014035
H           -6.14948247664785       -1.87270406419397        3.04852195194416
H           -7.77092048167640       -1.01791877442267        1.55221194184361
H           -9.12151995206861       -1.50914086626418        2.58145149440209
H           -7.21817185838372       -3.28473469771468        1.01403245597928
H           -8.95167707519367       -3.08698365059780        0.74312755149257
H           -8.59220997896609       -5.20770363951046        1.90890965450436
H           -9.41987134791616       -4.07911457693786        2.96283775564627
H           -4.54103231426681       -4.87772095785756        7.17540004284185
H           -3.97521166960315       -6.52418874260941        7.42866262250409
H           -2.56675393177177       -5.78119661685550        9.32500964772871
H           -3.07149459401168       -4.10980762333745        9.06250112882964
H           -4.90514032868254       -6.44970495125930        9.74851990572966
H           -5.44338536575053       -4.78935985211033        9.47101632463195
H           -4.02263528072703       -4.03589061835278       11.41083348316288
H           -5.29582785456469       -5.19669876231915       11.87024866818802
H           -1.59420776376247       -7.21817188844654        6.62910283307367
H           -1.12029656967800       -6.06424850684378        7.84180240233442
H           -0.40244031820553       -5.65575779386348        4.92654152912846
H            0.64394074252449       -6.53765511504216        6.03758533233064
H            1.25778932720541       -4.59730080222777        7.17692899155702
H            0.81303481884393       -3.85366140722399        5.64400976280627
H           -0.40064719532371       -2.57135211179461        7.20896346596715
H           -0.74771866901344       -3.95284825447061        8.23532332180551
H           -2.73203214275234       -3.15862414365784        7.01603714559508
H           -1.90894110682077       -3.46372500957592        5.45626057288839
N           -4.46387371863919       -2.52674088484549        5.25224079753873
H           -5.14604070895853       -1.82428559580821        4.98231704186725
H           -3.59009969039890       -2.05308328004679        5.45769885808845
H           -4.78331495880640       -2.97324794723646        6.10914782839502
N           -4.86791663482559       -3.46885605993512        2.25820880212121
N           -5.29696844095501       -3.08959086031471        1.27538411535477
116
 energy: -148.588998820130 gnorm: 0.016047859632 xtb: 6.5.1 (b24c23e)
N           -2.48016992787926       -3.47130841431815        2.43528811234601
C           -2.08138165462805       -4.47489639714142        1.47133966383961
C           -2.33879216106668       -5.88558747051506        1.99507393962882
N           -3.69298342430498       -6.00887801469995        2.52551495575458
C           -4.71568791642456       -6.11150354339252        1.49856827765246
C           -6.10837145804230       -5.83771783541877        2.09944317724396
N           -6.09730664616667       -4.92132487348899        3.22147199314971
Mo          -4.04609948173563       -4.27246422300898        3.65477666269080
N           -3.13689609778930       -5.45093721355837        5.08593587299916
C           -3.04634449069604       -6.84948517610335        4.71829155559481
C           -3.81241262221637       -7.13777783188506        3.43672921038566
H           -3.46860985613732       -7.50226519640752        5.50487771076515
H           -2.00105815238119       -7.17564803296845        4.57530375739565
H           -4.87089543532115       -7.25016378343624        3.67713693832294
H           -3.45047807518543       -8.06510818548653        2.96519799235897
H           -6.70800337585849       -5.44378710553258        1.26792361759823
H           -6.56978097188192       -6.80165329121842        2.38934165730174
H           -4.50675649064626       -5.35729019934614        0.73572656544031
H           -4.69735274858981       -7.10260149689450        1.01567541787420
H           -1.00552041476225       -4.41871152401476        1.23638591698876
H           -2.62031102361467       -4.33769397042774        0.51661736848959
H           -1.64925503668604       -6.06547487553703        2.82313394055140
H           -2.14827600062944       -6.62995752320585        1.20601124892992
C           -2.27669063102823       -2.09989683668538        1.93750847815031
C           -0.77075130851080       -1.84823622369692        1.68671111039302
C            0.15344610567584       -2.31070347761254        2.80281460461155
C            1.60451526274721       -2.16193848414264        2.35767813981718
C            2.58193681687105       -2.82108034609570        3.31169133368297
Cl           2.39739736175239       -4.59564116662154        3.26360973778662
C           -2.80689350496841       -1.14986750920149        3.02134967628224
C           -2.79156217454954        0.33181423993938        2.66089694710371
C           -3.61585498011364        0.56511196638715        1.40365631737399
C           -3.02798368597159       -0.24600901636772        0.25434508514551
C           -2.98808305798427       -1.73920571463402        0.59206051562006
C           -7.42526403578613       -4.46392358228904        3.60989706426753
C           -7.97627480363800       -5.51791003546159        4.62137446750401
C           -7.01623316438844       -5.71206434114379        5.79183736236101
C           -7.21397872049463       -7.03500879315553        6.52231521579910
C           -8.58532709523741       -7.08288466104752        7.17264983801403
Cl          -8.78627223765727       -8.56784934476595        8.13708457529317
C           -7.44947835851932       -3.09684348713670        4.32984778902989
C           -7.19883655488437       -1.87237364464862        3.44700645813307
C           -8.16800571856672       -1.80844438809479        2.26903594949121
C           -8.21232144717633       -3.14289874478958        1.53292327186648
C           -8.48708554335131       -4.30504580350900        2.48669191947435
C           -2.55651313958434       -5.23363193959139        6.42463263349011
C           -3.68261665299034       -5.46797504186568        7.47517928409055
C           -3.38102755756912       -5.14970796360570        8.93960656702456
C           -4.61171081148914       -5.40124319060146        9.81288874347920
C           -4.37871069721474       -5.05846217102959       11.27620791467215
Cl          -3.14403277182639       -6.12260667041485       12.00188020723338
C           -1.36080618290269       -6.15771217226596        6.77347621989698
C           -0.12622283602942       -5.75788353020184        5.97046337167701
C            0.42653154399079       -4.42416659396803        6.48440067421282
C           -0.66855084719844       -3.62494225144156        7.19040688726492
C           -2.01707461004692       -3.78327293090838        6.49013608145372
H           -0.48871311121949       -2.36410283138774        0.76543112865871
H           -0.61342899551659       -0.78460102718537        1.50973395114121
H           -0.06185906375452       -3.35308499407930        3.04035861092162
H           -0.01732949301244       -1.72157779705741        3.70622409376750
H            1.72430690684484       -2.60289326974343        1.36500211315228
H            1.85542267980330       -1.10037839368584        2.28014390962573
H            2.39989562616218       -2.51182894812763        4.34153018714630
H            3.61491616757632       -2.60735323826608        3.03727113907102
H           -3.84577867683345       -1.43759163592121        3.18882285856515
H           -2.23466484680542       -1.31755010187129        3.93716293870428
H           -1.77125782085183        0.68500750919043        2.49990654097136
H           -3.20737816124677        0.90428688490561        3.49510942764319
H           -3.63151786769383        1.62769312312501        1.14791967608968
H           -4.64723771713579        0.24582876585797        1.58218066106469
H           -2.03807265427731        0.13853445512387       -0.00112818801065
H           -3.66151891967781       -0.12956804179007       -0.63062295926736
H           -2.50204384782662       -2.26896158572761       -0.23446015591917
H           -4.03317443603655       -2.05124462173739        0.61131668331671
H           -8.96457478623672       -5.21997570717828        4.97706352293053
H           -8.08607073044357       -6.46417059992493        4.08528841929911
H           -7.13498650484495       -4.89417995867591        6.50722877412656
H           -5.99721409491985       -5.66967213183163        5.38715650873058
H           -6.44601424870986       -7.14453462424541        7.29090015691948
H           -7.11007638103318       -7.86600378303009        5.82155013947110
H           -9.37753386473071       -7.08169966772238        6.42486687514497
H           -8.72248000892472       -6.24016864455255        7.85216023642356
H           -6.75130042307717       -3.11748573888397        5.16425237486159
H           -8.45541002663681       -2.99007337760832        4.74998335353160
H           -7.31912297454718       -0.97012824114777        4.05759615342925
H           -6.18273907713401       -1.88133469427144        3.05645767686914
H           -7.83690796577253       -1.02960343813645        1.57820385789086
H           -9.16783279896865       -1.54014132590006        2.62122768726727
H           -7.25467526007258       -3.28613224460699        1.03020617142624
H           -8.99510945830665       -3.11137863004635        0.76992543273216
H           -8.61332889229353       -5.22960460922346        1.92286972335704
H           -9.44089077710140       -4.11297815431381        2.98774306569620
H           -4.55007680134028       -4.87706236589977        7.16241498701204
H           -3.97409313248706       -6.51980279044762        7.41301272132306
H           -2.57074860643367       -5.77835318047274        9.30937897569594
H           -3.07531693248806       -4.10697727270231        9.05077880953366
H           -4.90662551435449       -6.44982847214962        9.73553208104826
H           -5.44826531210665       -4.79074469080369        9.46015269395377
H           -4.01727260977477       -4.03593656444332       11.39429722564972
H           -5.28832917367730       -5.19567010272894       11.86217694829224
H           -1.60345749992816       -7.20820436368565        6.62362756716778
H           -1.12938977583299       -6.05266658067117        7.83304621019163
H           -0.40078463382014       -5.65043105328236        4.91978353688154
H            0.63869213311036       -6.53422600692571        6.03539472369119
H            1.25263319672596       -4.59630649146000        7.17790515146973
H            0.81652742030347       -3.85050216823734        5.64371811062162
H           -0.39901280415709       -2.56549381244048        7.20444056931030
H           -0.75186606478091       -3.94510093011742        8.23062378384536
H           -2.73420421311689       -3.14634439081649        7.01010946988838
H           -1.91198004433323       -3.44817225754797        5.45098737154537
N           -4.46592218628612       -2.50134187559143        5.24375595619690
H           -5.15807927486404       -1.80222393725377        4.98930666280515
H           -3.59733056295375       -2.01746780884850        5.44943568436875
H           -4.77093666986700       -2.96149172009190        6.09772299895763
N           -4.86194914553886       -3.47042392516457        2.21255450429682
N           -5.29179167545823       -3.14523460986544        1.21434402450480
116
 energy: -148.592749681276 gnorm: 0.011563683334 xtb: 6.5.1 (b24c23e)
N           -2.47762064113346       -3.46203795160533        2.41853989808274
C           -2.09866339050340       -4.46699546245758        1.44789611999715
C           -2.35279118923052       -5.87725291773439        1.97555676106856
N           -3.70580347829331       -6.00520705829047        2.51113962044225
C           -4.73555906913212       -6.12623116763046        1.49311531543098
C           -6.12457877403071       -5.83690393562144        2.09780650156879
N           -6.10750863505502       -4.92113963987386        3.22252523374716
Mo          -4.05827533112852       -4.26308809122488        3.62696061811372
N           -3.14628045598914       -5.43014017642729        5.07276041408552
C           -3.05189336180415       -6.83038748511781        4.70821621879109
C           -3.81978656531609       -7.12743396920805        3.43222151832485
H           -3.46954780961449       -7.47978170753111        5.49940830233065
H           -2.00582725706641       -7.15223042126069        4.56484682270451
H           -4.87786700110075       -7.23813865600075        3.67576397827663
H           -3.45929644647150       -8.05717259093639        2.96515182494944
H           -6.72039781747772       -5.43534076692572        1.26682488768904
H           -6.59643205890898       -6.79416520763461        2.38890996917342
H           -4.52889749712235       -5.39308885278140        0.70949371160432
H           -4.72125435084386       -7.12918278682226        1.03574518729349
H           -1.02658234185997       -4.40908897681372        1.19902098367242
H           -2.65240347413754       -4.32839899812980        0.50133429536150
H           -1.65987955285553       -6.05297439101518        2.80181376841603
H           -2.16343992745205       -6.62281711218234        1.18777745849581
C           -2.24717825680771       -2.09104802067933        1.93113130924662
C           -0.73561603296574       -1.84406782533771        1.69840449681418
C            0.18539170046202       -2.30736128909773        2.81712960960074
C            1.63953229800565       -2.16716544144244        2.37392867987466
C            2.61159106784691       -2.82970573705390        3.33118396935367
Cl           2.41326287120446       -4.60366024614154        3.29105509113626
C           -2.78616940775456       -1.14369762509025        3.01316905817519
C           -2.77395874118632        0.33909136966128        2.65990343999533
C           -3.58582943493121        0.56938729151027        1.39382015576172
C           -2.96844895674559       -0.22763328109821        0.25197905241687
C           -2.93262711496506       -1.72478459383659        0.57416838140409
C           -7.43932988449792       -4.48162849739266        3.62284380159007
C           -7.99043589277132       -5.53366634925962        4.63698751413311
C           -7.03516394553388       -5.72578596987444        5.81096795457618
C           -7.22645003312589       -7.05125893570808        6.53927347445758
C           -8.59623048170286       -7.10692331828074        7.19328750631461
Cl          -8.78563199434929       -8.59211779357585        8.16054980143195
C           -7.46175109114197       -3.11919556727745        4.34812710740496
C           -7.23153140085767       -1.89089020449847        3.46583600189607
C           -8.21693884262639       -1.83215261017145        2.30114111272904
C           -8.24553495656343       -3.16182495660967        1.55588122180057
C           -8.50747063907073       -4.32930822537461        2.50582422430602
C           -2.56295872393956       -5.21572794265832        6.41273489402024
C           -3.68969810080967       -5.45651902965475        7.45985238946072
C           -3.38739690776768       -5.14291650495345        8.92430394990417
C           -4.61531411957692       -5.39905878895633        9.79933194547733
C           -4.37554834345367       -5.05779777532638       11.26130437139850
Cl          -3.13562848620985       -6.12265619064820       11.97947086883220
C           -1.36910797272901       -6.14369617909584        6.76111158125854
C           -0.13090601480147       -5.74840149919663        5.96277433004687
C            0.42308709254102       -4.41678401224733        6.48047485683126
C           -0.67219878003914       -3.61401732609173        7.18307379738388
C           -2.02076687276561       -3.76658807687686        6.48111478973715
H           -0.44480395088722       -2.35674825490716        0.77816114829513
H           -0.57835899680623       -0.77950730747069        1.52498375327908
H           -0.03545382670309       -3.34831922309261        3.05622156654826
H            0.01888810218701       -1.71398037337748        3.71859776041262
H            1.76093722836407       -2.60966466179576        1.38212762293062
H            1.89854799820584       -1.10734631506783        2.29525977955086
H            2.43331495833906       -2.51464357326843        4.35983275954332
H            3.64668908539027       -2.62666412736142        3.05643267654224
H           -3.82472156580003       -1.43724330874989        3.17410728750400
H           -2.21858445835173       -1.31459775774893        3.93133532219654
H           -1.75357126507386        0.69794155515534        2.51048141389965
H           -3.20056089038248        0.90740754819870        3.49173997250687
H           -3.61471991635782        1.63263929582120        1.14403900906939
H           -4.61359122798787        0.23280356241090        1.55620041551715
H           -1.96860253946223        0.15680670364300        0.03293462755936
H           -3.57297189984767       -0.09724500500185       -0.65201088965440
H           -2.42060523165608       -2.23976853237712       -0.24211105498998
H           -3.96964419933991       -2.05070954106537        0.56299940648672
H           -8.97695915711731       -5.22431101721744        4.98833816176353
H           -8.11036790366971       -6.48205962042850        4.10772470179791
H           -7.16424313581117       -4.91114613658805        6.52863809730449
H           -6.01558418160920       -5.67358613613929        5.41028613627746
H           -6.45673001450402       -7.15826622104978        7.30657365915891
H           -7.11993868323448       -7.88126016534474        5.83793646984350
H           -9.39108868933831       -7.11149204018992        6.44830574003146
H           -8.73713908266575       -6.26524467494053        7.87322533721431
H           -6.74351175661744       -3.14207088428038        5.16586699470128
H           -8.45890099862688       -3.01812984862539        4.79033567904654
H           -7.35067330902138       -0.99174077886680        4.07966297870797
H           -6.21935544086878       -1.89376314843525        3.06735992364923
H           -7.91199943335860       -1.04009387522986        1.61196923328766
H           -9.21676214265053       -1.58605030730915        2.67116289321572
H           -7.28639985241336       -3.29067527312580        1.05182524616661
H           -9.02960000057859       -3.13706885934296        0.79466660965724
H           -8.62872935621761       -5.25365554731846        1.94048569190503
H           -9.46121156986544       -4.14667367240861        3.01053998167221
H           -4.56001427693935       -4.86894587036367        7.14855135117671
H           -3.97667147601778       -6.50943781960929        7.39380434012662
H           -2.57573016612731       -5.77192595641077        9.29056926457710
H           -3.08209093817629       -4.10042982277810        9.03828692442960
H           -4.90873874046553       -6.44804602019257        9.72073849653944
H           -5.45425177477197       -4.78975656138131        9.45023313400059
H           -4.01274226925164       -4.03572914300211       11.37784729087921
H           -5.28099049244068       -5.19562901369736       11.85319346982303
H           -1.61457122938012       -7.19386633646289        6.61364642551891
H           -1.13982846923324       -6.03800205580112        7.82097925102750
H           -0.39957083344181       -5.64047995159327        4.91069244506725
H            0.63143687211196       -6.52722891322925        6.03130277591793
H            1.24537575042030       -4.59250434370894        7.17772448810263
H            0.81948665636113       -3.84352023943969        5.64272469904838
H           -0.39835391120930       -2.55552067992824        7.19803007716955
H           -0.75797984016394       -3.93321837046372        8.22345203204292
H           -2.73682527150763       -3.12878101586423        7.00232872641291
H           -1.91528952594642       -3.42775261718624        5.44320452268334
N           -4.47143181438967       -2.47891172720020        5.22618671362747
H           -5.17204131712016       -1.78228639467008        4.98813211559505
H           -3.60586373970713       -1.98743891467840        5.42703097332081
H           -4.76031045293885       -2.94827986521188        6.08036181555322
N           -4.86329646528501       -3.45412985143089        2.18056198314214
N           -5.28751803388386       -3.17669023723848        1.16832393322892
116
 energy: -148.595645570036 gnorm: 0.012567363387 xtb: 6.5.1 (b24c23e)
N           -2.48043692490644       -3.45588413251587        2.40361812149802
C           -2.11998295279190       -4.45909215205394        1.42446362468238
C           -2.37103049189394       -5.86885006094179        1.95549666418035
N           -3.72238247103057       -5.99270137803521        2.50041298791989
C           -4.75572160586932       -6.13405226112023        1.48816537386396
C           -6.14028441708844       -5.83166273859310        2.09659614912526
N           -6.11295745612206       -4.91793420183244        3.22711733634308
Mo          -4.07642775063336       -4.23152522289942        3.61826579958848
N           -3.15548292523495       -5.41278327887209        5.05347479532869
C           -3.05637328960027       -6.81426814785820        4.69369149250997
C           -3.82982851297544       -7.11460105202421        3.42403088412747
H           -3.46787917765669       -7.46292460403544        5.48850579529849
H           -2.00967600264397       -7.13041950419728        4.54546860426776
H           -4.88699350253952       -7.22511875663142        3.67296734684564
H           -3.47141793515389       -8.04665432465457        2.95931256477464
H           -6.73291334573800       -5.42367037948162        1.26541567408189
H           -6.62210825295212       -6.78221777208243        2.39191221762738
H           -4.55121329192647       -5.41987569385588        0.68674025342514
H           -4.74784212122264       -7.14731273654476        1.05351787507345
H           -1.05234107538495       -4.39901236814352        1.15844221428482
H           -2.69028583173172       -4.32038521319741        0.48611731304974
H           -1.67307730603225       -6.04176157755253        2.77785929639676
H           -2.18562060210731       -6.61575054307352        1.16782074197904
C           -2.21926111054925       -2.08603293630971        1.92608110199628
C           -0.70118106829621       -1.84739711052360        1.71427823600486
C            0.21559723745824       -2.31212339129156        2.83629239553928
C            1.67271643519410       -2.17764477949464        2.39555988168892
C            2.64259932994151       -2.84112433827693        3.35447578187526
Cl           2.43587950126886       -4.61534375425713        3.32388366302930
C           -2.76453364537584       -1.13875992246510        3.00617915235403
C           -2.75484767447305        0.34494340211350        2.65809176072592
C           -3.55291990325070        0.57250110801549        1.38241642185593
C           -2.90749187233992       -0.21288527260369        0.24925340099962
C           -2.87500294117019       -1.71164740159272        0.55688766534621
C           -7.45041121873018       -4.49816163601481        3.63773656551705
C           -7.99543431339055       -5.55498608334628        4.64985040993502
C           -7.04757526159650       -5.74382337214315        5.82999981284851
C           -7.23818015804791       -7.07087890199124        6.55771286886058
C           -8.60671564698576       -7.13304937899264        7.21469884897902
Cl          -8.78328679299528       -8.62029296305218        8.18415162911408
C           -7.47306153097279       -3.14024775399143        4.36956508768117
C           -7.26149152190980       -1.91101106089013        3.48503873025779
C           -8.26599120694865       -1.85877658535837        2.33676012091598
C           -8.27685612866268       -3.18172650553772        1.57916028012908
C           -8.52481751996641       -4.35333513260917        2.52641637548601
C           -2.57091262722964       -5.19730866887308        6.39546859229208
C           -3.69749632025389       -5.44077718122244        7.44131078515024
C           -3.39466687399695       -5.13309084527770        8.90679544387403
C           -4.61914013562109       -5.39524196919010        9.78477130735113
C           -4.37308622575307       -5.05697878220972       11.24594165764880
Cl          -3.12735883241962       -6.12277605295160       11.95655984730442
C           -1.37848634097665       -6.12674818652947        6.74588020750884
C           -0.13692387149406       -5.73475051219276        5.95242792089246
C            0.41829434910293       -4.40566020822571        6.47461193831061
C           -0.67796521832946       -3.60032571265453        7.17324428243149
C           -2.02595214391517       -3.74910610620138        6.46801089097083
H           -0.40292712889957       -2.35745801911901        0.79538272536558
H           -0.54296978818585       -0.78239795262646        1.54480412996344
H           -0.00946146731731       -3.35191292369131        3.07588247267993
H            0.05175665689974       -1.71517921326309        3.73554273185283
H            1.79607753046001       -2.62037519164342        1.40426014168105
H            1.93697697837761       -1.11905046384052        2.31754089610237
H            2.46986989003342       -2.52059199322364        4.38209805970724
H            3.67811579536903       -2.64626701858621        3.07600063749652
H           -3.80322966366197       -1.43392390172746        3.16188270847104
H           -2.20025834726811       -1.31123597571866        3.92610205277680
H           -1.73473831003632        0.70985792142915        2.52186935873673
H           -3.19415389975807        0.90896933743996        3.48655640267227
H           -3.59072447201754        1.63580293542988        1.13648901955388
H           -4.57787411288043        0.22278733579608        1.52880517134104
H           -1.90001860191856        0.17072766762306        0.06471627635776
H           -3.48403544836867       -0.06995526938060       -0.67079367982073
H           -2.33969573424454       -2.21561500401143       -0.24916662956359
H           -3.90606168547400       -2.05083397377356        0.51939325263788
H           -8.98237377032908       -5.24292522610822        4.99567019789610
H           -8.11578618355727       -6.50368650364573        4.12345318091674
H           -7.18699773896262       -4.93147964700154        6.54806641212377
H           -6.02518329856175       -5.68614803501447        5.43810359317177
H           -6.46802838696829       -7.17583049079574        7.32476827345034
H           -7.13018320151765       -7.90067878783031        5.85679448654881
H           -9.40461544485036       -7.14455442278658        6.47329152389431
H           -8.75170887497866       -6.29373682546567        7.89616330570516
H           -6.73696967814905       -3.16474161729865        5.17090915210329
H           -8.46105938599436       -3.04528319025074        4.83170046113645
H           -7.37316333930459       -1.01134794191576        4.09886335456142
H           -6.25589827421332       -1.91699835740216        3.07059926212502
H           -7.99262442290317       -1.05048485485417        1.65169940319892
H           -9.26556316155044       -1.64234053262263        2.72820505915130
H           -7.31707179751206       -3.29688099861292        1.07369834345467
H           -9.06051309524119       -3.16233776894727        0.81784792476822
H           -8.64009669068654       -5.27857442340546        1.96150264368548
H           -9.47837044880097       -4.17923263911486        3.03375516318741
H           -4.56847568761018       -4.85341942016148        7.13258474616313
H           -3.98312212876836       -6.49355274531406        7.37114673245335
H           -2.58126678279749       -5.76216192350756        9.26864271495971
H           -3.09109973226880       -4.09072422108592        9.02425890232728
H           -4.91060429563667       -6.44451455339818        9.70400424341927
H           -5.46067193805518       -4.78675799710192        9.44083867101116
H           -4.00938849529544       -4.03560928172903       11.36248963277645
H           -5.27418155615842       -5.19726008695562       11.84328277725350
H           -1.62595613103183       -7.17635801876010        6.59952566171911
H           -1.15151991819942       -6.02060374082258        7.80605503501364
H           -0.39937551425228       -5.62593710741411        4.89908281741154
H            0.62282956981136       -6.51587342857084        6.02470069453678
H            1.23608119671820       -4.58527319759414        7.17615296854738
H            0.82144414187726       -3.83242481647743        5.64036959574353
H           -0.40038400661505       -2.54264179448170        7.18919591490430
H           -0.76698350898808       -3.91857403853328        8.21356574622767
H           -2.74097759264280       -3.11016079602547        6.98978060265300
H           -1.91843410128735       -3.40668301667339        5.43197951918669
N           -4.48136997650907       -2.44713502192981        5.21393951504732
H           -5.18979007376105       -1.75474628198154        4.98836301074880
H           -3.61576413619268       -1.95196236489570        5.40350437857440
H           -4.75383792084053       -2.92311629184269        6.06978303196399
N           -4.86872250497954       -3.44128635908462        2.13668782858804
N           -5.28899329762290       -3.18968215335961        1.11779510853198
116
 energy: -148.598035438184 gnorm: 0.019002919544 xtb: 6.5.1 (b24c23e)
N           -2.47786446180333       -3.44975059136123        2.38934403462486
C           -2.14020474032862       -4.45088796510956        1.40050899617968
C           -2.38780110896741       -5.86162886051485        1.93172622888915
N           -3.73644291756000       -5.98814006886279        2.48119575613081
C           -4.77625517506091       -6.13691654079007        1.47954677445429
C           -6.15561186621914       -5.82359446068559        2.09396505732389
N           -6.12122628360780       -4.90970284053684        3.22575064000365
Mo          -4.08959391435235       -4.22521643532265        3.58623222447460
N           -3.16626239432735       -5.39233585699408        5.03774029245779
C           -3.06163251351227       -6.79303901449899        4.67944773804519
C           -3.84002294990318       -7.10101300077653        3.41506752938503
H           -3.46573478255264       -7.44315027002769        5.47688319830783
H           -2.01416901877170       -7.10360386623566        4.52599869894390
H           -4.89602679555922       -7.21111718824232        3.66953388635171
H           -3.48393376295006       -8.03657097489086        2.95521295321751
H           -6.74802200211720       -5.41139087447606        1.26484193573482
H           -6.64454220429442       -6.76904630544332        2.39390980322829
H           -4.57495279698703       -5.43720183944466        0.66539454705817
H           -4.77587723549095       -7.15642238427927        1.06124710996082
H           -1.07708755503072       -4.39139529641798        1.11616646505619
H           -2.72686653148538       -4.30994155282216        0.47078995316096
H           -1.68554804354733       -6.03379347917819        2.75018682301894
H           -2.20655852893724       -6.60828052403639        1.14310019225047
C           -2.19095476137979       -2.08153523197686        1.92358131112870
C           -0.66664160185861       -1.85473070775005        1.73265098340109
C            0.24298114515889       -2.32424365628918        2.85898601007730
C            1.70256126497466       -2.19279350422707        2.42172950558886
C            2.67306297209680       -2.85532976828035        3.38085019447959
Cl           2.46239568249750       -4.62977398688712        3.35977650541937
C           -2.74190406046480       -1.13385762671308        3.00134398975093
C           -2.73437260238457        0.35041488653611        2.65559427045358
C           -3.51821178095842        0.57535812453718        1.37046096913238
C           -2.84991640659198       -0.20288021083917        0.24673621649289
C           -2.82270118287413       -1.70142181059832        0.54612713532388
C           -7.46062102893945       -4.51252366890710        3.65407217197944
C           -7.99519603717076       -5.57950129947380        4.66124724477345
C           -7.05431674047464       -5.76457533268638        5.84761479471594
C           -7.24726667956151       -7.09221734960373        6.57616090064749
C           -8.61502793188439       -7.15897114783162        7.23493167544284
Cl          -8.78027799763898       -8.64847196266927        8.20576928785043
C           -7.48461099701143       -3.15921619974508        4.39415204362555
C           -7.29111585667876       -1.92948433880356        3.50661065272375
C           -8.31439512245392       -1.88359119423483        2.37498713350305
C           -8.30570282095013       -3.19893276048923        1.60472840763834
C           -8.54158010750875       -4.37496930483789        2.54856802975279
C           -2.57977192667202       -5.17555934481744        6.37939250107175
C           -3.70704045528141       -5.41998680814483        7.42374900879808
C           -3.40234470360665       -5.11929870109703        8.89030360071708
C           -4.62367983746797       -5.38902088886636        9.77052781780586
C           -4.37190053731771       -5.05543241858290       11.23161598617498
Cl          -3.12040565227747       -6.12227311756605       11.93333228372915
C           -1.38898329966846       -6.10687703020654        6.73007979622583
C           -0.14454859187136       -5.71716232944828        5.94055072822406
C            0.41175587858343       -4.39062804221501        6.46743671654872
C           -0.68581472847772       -3.58269770680919        7.16128670186747
C           -2.03299750061121       -3.72831478833438        6.45250365243927
H           -0.36206245804463       -2.36396636819047        0.81577311851930
H           -0.50403554637538       -0.78991333368558        1.56745078214014
H            0.01412147493248       -3.36351693341161        3.09642863910408
H            0.07950911315882       -1.72609521632692        3.75702354561704
H            1.82748434478704       -2.63539407227710        1.43078365333855
H            1.96852463064997       -1.13471503548746        2.34477877873960
H            2.50617022757957       -2.52960334893913        4.40755161040186
H            3.70774647225264       -2.66530722558232        3.09661547062602
H           -3.78106226880107       -1.43020636356971        3.15207440307356
H           -2.17956119477564       -1.30659811876052        3.92232464481329
H           -1.71477480997452        0.72093755998130        2.53231918162338
H           -3.18687517009536        0.91045324464843        3.47978012836456
H           -3.56098486573789        1.63844529790540        1.12600179841015
H           -4.54145547489478        0.21622792038644        1.50176739787987
H           -1.83859235699110        0.18083349654718        0.08977657837603
H           -3.40301375552432       -0.05138699865793       -0.68495091791810
H           -2.26806071558797       -2.19876551377854       -0.25097920506409
H           -3.84922725279360       -2.05070085330397        0.49128072550471
H           -8.98523789763071       -5.27602570164454        5.00375797253881
H           -8.10574535144828       -6.52723566823635        4.13284956168699
H           -7.20194844511115       -4.95302633682242        6.56426897086881
H           -6.02866675690948       -5.70528267890865        5.46483179981510
H           -6.47759939456576       -7.19597499603963        7.34366707341706
H           -7.13886747123225       -7.92219852187076        5.87592749443135
H           -9.41539008846555       -7.17690526601662        6.49662395657202
H           -8.76376446269745       -6.32199457889184        7.91790995028980
H           -6.73305236228347       -3.18429502604373        5.18060274411243
H           -8.46444700239307       -3.07204461467191        4.87313577004978
H           -7.39419861220920       -1.02786220264483        4.11946336981798
H           -6.29143791960109       -1.93836845138052        3.07627022464953
H           -8.07224019168962       -1.05966982378298        1.69622463158146
H           -9.31363942950061       -1.69910690090784        2.78522409123666
H           -7.34406462543955       -3.29908677952286        1.09978385861258
H           -9.08777231011803       -3.18450192263941        0.84170171360696
H           -8.65079361263595       -5.30116422115802        1.98417085811113
H           -9.49439250196009       -4.20892122053101        3.05931386385876
H           -4.57651754439863       -4.82952871534061        7.11796248486768
H           -3.99424366855773       -6.47171483907177        7.34884978580578
H           -2.58713015827880       -5.74857393457631        9.24693520573372
H           -3.10138835534571       -4.07688816328792        9.01172305037901
H           -4.91214458930370       -6.43869302604672        9.68648722924096
H           -5.46792090877275       -4.78131401887906        9.43234495229097
H           -4.00826476826594       -4.03453408096670       11.34956992642237
H           -5.26927860111289       -5.19953612898338       11.83310265043645
H           -1.63775732165747       -7.15573057836176        6.58244759753948
H           -1.16306134879198       -6.00186848647760        7.79036041487009
H           -0.40215581703133       -5.60669507860102        4.88644265358091
H            0.61276471893661       -6.50035529434274        6.01540525713493
H            1.22475833561411       -4.57416856415981        7.17346128813697
H            0.82160515285001       -3.81751859288957        5.63668362609776
H           -0.40558333821421       -2.52572928401571        7.17761340248718
H           -0.77894026062302       -3.90001396578919        8.20140744181693
H           -2.74728251853593       -3.08795646309992        6.97362038985664
H           -1.92288721004259       -3.38559811944966        5.41723661699455
N           -4.48882744458495       -2.42898132480290        5.18974931376502
H           -5.20429146986996       -1.74102956845734        4.97367762436899
H           -3.62328887872861       -1.92885353553634        5.36745807851486
H           -4.74735003945356       -2.90413080380703        6.04969305272064
N           -4.87544431320193       -3.42192976132854        2.11150743794536
N           -5.29254191041093       -3.18448019870505        1.09259672442365
116
 energy: -148.600041158670 gnorm: 0.010417960012 xtb: 6.5.1 (b24c23e)
N           -2.47791677579078       -3.44622538737187        2.37692482189640
C           -2.16042397881286       -4.44306430068064        1.37863058504702
C           -2.40643436359830       -5.85450336967461        1.90785158158615
N           -3.75193621886886       -5.97645286256451        2.46521728069671
C           -4.79562822137941       -6.13308004720851        1.47014555321389
C           -6.16939018528857       -5.81345279553703        2.09093628059106
N           -6.12515627041485       -4.90100884004244        3.22502439622513
Mo          -4.10145826009901       -4.20746573458760        3.56862612446279
N           -3.17593204647361       -5.37268547998359        5.02087568891797
C           -3.06668239834679       -6.77194998816446        4.66243503310124
C           -3.85159880848692       -7.08512080863323        3.40357752304632
H           -3.46256508266216       -7.42578899338740        5.46123948143998
H           -2.01857912362310       -7.07773767373737        4.50166148406961
H           -4.90611071645653       -7.19416837951120        3.66452455820916
H           -3.49843216504095       -8.02329224337749        2.94579852832631
H           -6.76412129852926       -5.39708336513429        1.26565126133707
H           -6.66200985129553       -6.75651965598605        2.39305770460034
H           -4.59978470149608       -5.44205581745858        0.64833583772198
H           -4.80001176316736       -7.15610764291876        1.06165182291555
H           -1.10228936815970       -4.38590807525700        1.07603340223363
H           -2.76132735386945       -4.29705261930887        0.45817185180844
H           -1.69907797231764       -6.02915413145034        2.72107722306567
H           -2.23264421131163       -6.60033649544666        1.11654217652584
C           -2.16336000741413       -2.08064958171430        1.92348070282196
C           -0.63343564445779       -1.86822232052039        1.75337572211016
C            0.26671407917137       -2.34523913155383        2.88485757367951
C            1.72857415329458       -2.21345579064463        2.45310726443269
C            2.70215286192887       -2.87298473103376        3.41147703104686
Cl           2.49272472203988       -4.64796363337322        3.39913858608003
C           -2.71842305346962       -1.13007268720188        2.99695351670407
C           -2.71138470699532        0.35462630383555        2.65202254272236
C           -3.48059692376850        0.57787198171820        1.35789170959614
C           -2.79393292229272       -0.19685600895025        0.24345772535238
C           -2.77254087634756       -1.69510255966672        0.53886037084251
C           -7.46685445136851       -4.52679653132984        3.67063746944366
C           -7.98693730015310       -5.60815502160476        4.67051548429000
C           -7.05426718224417       -5.78961399745722        5.86371556135195
C           -7.25252647159398       -7.11647557968119        6.59458273147493
C           -8.62005233602567       -7.18548483697607        7.25361660134236
Cl          -8.77755580949104       -8.67679192079733        8.22559525271950
C           -7.49472527881895       -3.17825349647129        4.41940095682778
C           -7.31973497807551       -1.94871234637376        3.52751117880171
C           -8.36351371803613       -1.90708796631968        2.41547681996233
C           -8.33664244133681       -3.21396564957462        1.63270224126845
C           -8.55761372263291       -4.39506550761747        2.57324649275328
C           -2.58889899768515       -5.15348861475310        6.36155006548751
C           -3.71754167073963       -5.39543480748902        7.40498007521095
C           -3.41026620942479       -5.10218207524748        8.87258143519042
C           -4.62814220632583       -5.38076536942961        9.75501533654876
C           -4.37142565119930       -5.05426676451255       11.21683658319906
Cl          -3.11428822813408       -6.12248523808584       11.90838232235752
C           -1.39929312584326       -6.08546434512713        6.71269420064202
C           -0.15299026361509       -5.69568390248296        5.92613463335898
C            0.40346800764748       -4.37143693080314        6.45822031465830
C           -0.69621764955817       -3.56158684606629        7.14649696473679
C           -2.04136834009133       -3.70657406443660        6.43295321178798
H           -0.32266242576945       -2.37747475122074        0.83862690329513
H           -0.46223884743150       -0.80382394470748        1.59282387482186
H            0.03490093045120       -3.38503304754546        3.11681613871661
H            0.10072188891308       -1.74958848222522        3.78392407937066
H            1.85607096840339       -2.65536009713180        1.46222412691262
H            1.99311959581626       -1.15493442039927        2.37733316151419
H            2.54135303687961       -2.54290703401193        4.43766902376234
H            3.73520728345166       -2.68430348154389        3.12044541666436
H           -3.75868214037976       -1.42628417755252        3.14221894920287
H           -2.15899990518572       -1.30168897484288        3.91991586146654
H           -1.69192644458259        0.72940028381914        2.54168797861810
H           -3.17646667466668        0.91144400110870        3.47124118351982
H           -3.52430105952921        1.64098286940158        1.11375824960323
H           -4.50344667613304        0.21381132319070        1.47538542605552
H           -1.78028351786604        0.18648174160516        0.10928183235782
H           -3.32741522071347       -0.04013349600501       -0.69726014453592
H           -2.20680515792083       -2.19113982257835       -0.25043610571350
H           -3.79629448487825       -2.04921447592993        0.47447798514823
H           -8.98344157957784       -5.32228235969683        5.01004868064231
H           -8.08005707899709       -6.55459311105778        4.13600174876802
H           -7.20725475435865       -4.97654478372324        6.57689334317099
H           -6.02543098942291       -5.73229062948815        5.48998902657647
H           -6.48416388230558       -7.22015597679952        7.36335103874694
H           -7.14433012921757       -7.94747691887866        5.89552680287748
H           -9.42207405887633       -7.20854313066818        6.51746301419255
H           -8.77192442650567       -6.35015954068566        7.93768051868370
H           -6.73051543516117       -3.20170146854538        5.19305358026044
H           -8.46760552573391       -3.09994229919273        4.91293292195822
H           -7.40793988295938       -1.04412820451372        4.13904847461113
H           -6.32924961109615       -1.96399703589899        3.07206571172750
H           -8.15177838741550       -1.06908899590419        1.74472450710033
H           -9.35954040769676       -1.75272628741851        2.84514669363699
H           -7.37343485980072       -3.29870229220598        1.12751508122470
H           -9.11808409762578       -3.20525917840190        0.86850989818583
H           -8.66323667926089       -5.32171567223330        2.00909897503379
H           -9.50858067050864       -4.23679972131793        3.08998592845717
H           -4.58340136366883       -4.79827135218180        7.10233703333258
H           -4.01066701601136       -6.44515099710386        7.32556641524107
H           -2.59267348257197       -5.73121819729336        9.22373509262280
H           -3.11240227019582       -4.05943891032794        8.99861729206640
H           -4.91320417977404       -6.43095077073743        9.66637196537518
H           -5.47558829468701       -4.77388134348476        9.42338669097662
H           -4.00900476738215       -4.03347608602398       11.33857232222183
H           -5.26565325382872       -5.20377994562439       11.82147288118092
H           -1.64794228100910       -7.13394029905453        6.56322059266969
H           -1.17428611793854       -5.98178918375290        7.77318590365206
H           -0.40775868494310       -5.58243577850246        4.87170124127655
H            0.60276046723049       -6.48020134261600        6.00142078033659
H            1.21146000317691       -4.55860655234703        7.16904947606918
H            0.82008247493944       -3.79812576901402        5.63114102474574
H           -0.41521994488929       -2.50490116095670        7.16273615537912
H           -0.79414329418793       -3.87775940351116        8.18651062448510
H           -2.75595880974341       -3.06451033395385        6.95139787745560
H           -1.92781317811950       -3.36538519305478        5.39780689829266
N           -4.49925945952279       -2.40596537485017        5.16839095462846
H           -5.22117308316939       -1.72339078614086        4.95764687237976
H           -3.63333203231744       -1.90178831644347        5.33315218084176
H           -4.74580438014529       -2.87873420169765        6.03322600359440
N           -4.88508354609640       -3.40077329359793        2.09554026699629
N           -5.29509660893795       -3.17901585536340        1.06229819770419
116
 energy: -148.602062031123 gnorm: 0.023891681542 xtb: 6.5.1 (b24c23e)
N           -2.47420367067387       -3.44615140092422        2.36740325353321
C           -2.17783667205547       -4.43623985736655        1.35841840551070
C           -2.42435198258430       -5.84902337237019        1.88240071802647
N           -3.76609343067382       -5.96554094535016        2.44710599004853
C           -4.81372837932483       -6.12285496753259        1.45815596525026
C           -6.18269406458041       -5.80222998358196        2.08571798902588
N           -6.13066355246805       -4.89371009056797        3.22251284932698
Mo          -4.11203417515154       -4.19642070785476        3.54869141045934
N           -3.18548962900539       -5.35447931403483        5.00350866880366
C           -3.07173171496321       -6.75128985457752        4.64438942263330
C           -3.86341213949887       -7.06901222829697        3.39013014621449
H           -3.45904517480678       -7.40952397832552        5.44431283565702
H           -2.02298531976469       -7.05257033226948        4.47601808649715
H           -4.91613670822819       -7.17601827295722        3.65811649068837
H           -3.51381455641950       -8.00986402978729        2.93465984699709
H           -6.78157204395901       -5.38176997911656        1.26570170768999
H           -6.67521158662431       -6.74540191885760        2.38803982905370
H           -4.62460881194540       -5.43353799079766        0.63489588485552
H           -4.82076286164972       -7.14572571193396        1.05145530971620
H           -1.12536783867652       -4.38291135508918        1.03785084480257
H           -2.79261500947879       -4.28216730296018        0.44845090807978
H           -1.71142097286909       -6.02951776953814        2.68916417177993
H           -2.26005492819182       -6.59224306155633        1.08653417749066
C           -2.13745053019902       -2.08364042783819        1.92589317106886
C           -0.60289737087063       -1.88704477372278        1.77548249844004
C            0.28603241991685       -2.37471506804594        2.91245503821064
C            1.75037808828607       -2.23913758917480        2.48891828667120
C            2.72860989622662       -2.89369110373410        3.44676681503625
Cl           2.52558964282122       -4.66907414261317        3.44225266187323
C           -2.69489909874893       -1.12788000619138        2.99376239990433
C           -2.68592322231822        0.35700438676454        2.64715576793178
C           -3.43998198232849        0.58001970991778        1.34441971075553
C           -2.73940253377382       -0.19549852233842        0.23936523336881
C           -2.72852997007300       -1.69239161836989        0.53661486664778
C           -7.47159645401361       -4.54143651146546        3.68789882339972
C           -7.97258892127552       -5.64153729847863        4.67808660819188
C           -7.04724862396368       -5.81834208101285        5.87756902933468
C           -7.25336705485115       -7.14306530567207        6.61254422070774
C           -8.62139333682630       -7.21170826127875        7.27043676460811
Cl          -8.77519873751539       -8.70356994307090        8.24355302639314
C           -7.50506625590419       -3.19829490705037        4.44682425861374
C           -7.34559760346937       -1.96867214420800        3.55268746798950
C           -8.40931714917289       -1.92914459912306        2.46036313879191
C           -8.36716210092309       -3.22608141959731        1.66385938580399
C           -8.57329335466421       -4.41322438675498        2.59981309889343
C           -2.59896990405756       -5.13003784847124        6.34201616386891
C           -3.72928162811205       -5.36633733500138        7.38571571035317
C           -3.41869332380351       -5.08064013253444        8.85433598940500
C           -4.63315079431465       -5.36943160827235        9.73857559525693
C           -4.37233495887167       -5.05214312591197       11.20200332048355
Cl          -3.10996848766789       -6.12152800661807       11.88181256025749
C           -1.40980710383454       -6.06109887980064        6.69476577170256
C           -0.16269158882530       -5.66918271860685        5.90996773175799
C            0.39317848123345       -4.34716196925066        6.44754293637871
C           -0.70960256955110       -3.53596570768611        7.12897538475373
C           -2.05165809327317       -3.68285888647448        6.40953302518311
H           -0.28710385761038       -2.39719102167001        0.86309960720862
H           -0.41949302490454       -0.82362743352748        1.62016184919153
H            0.05236173330765       -3.41605159201040        3.13480930361607
H            0.11445393978218       -1.78562136975430        3.81472169207527
H            1.88215460574451       -2.68011783647170        1.49830337525594
H            2.01042975738742       -1.17947621229348        2.41474378133554
H            2.57325073947557       -2.56002185180502        4.47248699734077
H            3.75931277444948       -2.70265203924718        3.14870290841940
H           -3.73655714025988       -1.42196988968971        3.13341046042903
H           -2.13903535376894       -1.29662266569524        3.91930657266944
H           -1.66628681128020        0.73370342225128        2.54933419170857
H           -3.16236012159018        0.91199156588758        3.46048068583260
H           -3.47901193597789        1.64304602912067        1.09896463913802
H           -4.46401895557643        0.21694233208179        1.44921450944659
H           -1.72401999825446        0.18500501116047        0.12367813894600
H           -3.25666387162930       -0.03683875113388       -0.70829006235310
H           -2.16004922805814       -2.19305956470756       -0.24653630820775
H           -3.75443016511044       -2.04191091906354        0.46785923664168
H           -8.97826113286505       -5.38230019435380        5.01502048886431
H           -8.04021799003655       -6.58558474852692        4.13328001509102
H           -7.20294737486349       -5.00183846020100        6.58546039853940
H           -6.01566458474716       -5.76636553261958        5.51181825981785
H           -6.48711060209808       -7.24705899411021        7.38327230101776
H           -7.14577050373669       -7.97590444949942        5.91558250567855
H           -9.42381451036671       -7.23856993665911        6.53522878523955
H           -8.77546705705168       -6.37714346000472        7.95464633468879
H           -6.73241560776620       -3.21866581406100        5.21071199324760
H           -8.47257933594154       -3.12924318030213        4.95005201784708
H           -7.41576004845186       -1.06059754004885        4.16252286969652
H           -6.36430374486890       -1.99476458830314        3.07645024409874
H           -8.22649776141863       -1.07908772762011        1.79914343746389
H           -9.39977763042110       -1.80280862010791        2.90783702116163
H           -7.40228818003719       -3.29353127476422        1.15892154022524
H           -9.14810115180515       -3.22275504263517        0.89874174227048
H           -8.67709605084849       -5.33924576904525        2.03475577436771
H           -9.52103117687561       -4.26250130035713        3.12454987302574
H           -4.58935359123720       -4.75928447464615        7.08624959171521
H           -4.03194604221666       -6.41299358190599        7.30220143711975
H           -2.59831763433046       -5.70877657732740        9.19972931579720
H           -3.12489245829524       -4.03742186372935        8.98525167803990
H           -4.91406851048993       -6.42007607803558        9.64402578730597
H           -5.48383909594180       -4.76345496821316        9.41413092136911
H           -4.01253081645225       -4.03117829872185       11.32959315309689
H           -5.26411626369157       -5.20867151547408       11.80833004449038
H           -1.65665825033760       -7.10945474011238        6.54291539517826
H           -1.18538715048909       -5.95880587635555        7.75528751181831
H           -0.41683723048268       -5.55225403321154        4.85594879287667
H            0.59246817770110       -6.45409509553174        5.98359708182683
H            1.19555800762847       -4.53758131971681        7.16366907735265
H            0.81669662026908       -3.77375465045349        5.62436440021771
H           -0.42945877611189       -2.47924458894550        7.14434015331319
H           -0.81297328999240       -3.85033597101198        8.16885681572050
H           -2.76746867215600       -3.03883473837372        6.92337598213439
H           -1.93367159963773       -3.34575969312456        5.37376410544260
N           -4.50898530365252       -2.38707857927140        5.14182366170064
H           -5.23628456842909       -1.71086264489841        4.93110688043730
H           -3.64383242596268       -1.87831175157755        5.29536060528258
H           -4.74793334273488       -2.85399362521061        6.01200080100494
N           -4.89025908336873       -3.38944954082096        2.07364449933505
N           -5.30897978320358       -3.13356843620776        1.06149726221097
116
 energy: -148.603903740651 gnorm: 0.012058217277 xtb: 6.5.1 (b24c23e)
N           -2.47072788588361       -3.44732550055473        2.36109819086691
C           -2.19106561242136       -4.43087008557773        1.34204540592889
C           -2.43908154722292       -5.84498481828196        1.85907897000069
N           -3.77706319413454       -5.95397306815582        2.43254096353668
C           -4.82764439434233       -6.10709373217846        1.44585204155970
C           -6.19355738162149       -5.79054279287663        2.07949645970495
N           -6.13570876819498       -4.88762648994810        3.21960935683322
Mo          -4.11845613576195       -4.18503782081521        3.53528855298170
N           -3.19420260917052       -5.33847836230671        4.98604107549393
C           -3.07661751859728       -6.73432664133987        4.62812150951655
C           -3.87383341287448       -7.05521938778795        3.37760825518084
H           -3.45705359915436       -7.39535644239607        5.42949865139235
H           -2.02707554803628       -7.03168849123475        4.45413938563940
H           -4.92528588701887       -7.15856554347959        3.65075904954573
H           -3.52776837365396       -7.99796260097763        2.92356785481836
H           -6.79825211218486       -5.36640610033991        1.26565219718557
H           -6.68335512737149       -6.73658898499426        2.37767680087711
H           -4.64328002927128       -5.41337120458188        0.62523166498069
H           -4.83389401155809       -7.12824355944334        1.03414206197577
H           -1.14343540851963       -4.38201959532488        1.00672665989814
H           -2.81718244917053       -4.26843559635511        0.44217300257057
H           -1.72014519318306       -6.03472720383494        2.65849087266469
H           -2.28680679505470       -6.58461440134623        1.05730139522526
C           -2.11512182487708       -2.08800977432214        1.92986544801133
C           -0.57755922660131       -1.90827772647778        1.79515841582557
C            0.29967583121712       -2.40965518565084        2.93631820863807
C            1.76683568106412       -2.26771991835588        2.52440945731554
C            2.74842181149635       -2.91623467430897        3.48371054190918
Cl           2.55506830529218       -4.69216999483547        3.48425891528610
C           -2.67426861914878       -1.12688601004714        2.99149157564925
C           -2.65873105505723        0.35767957771319        2.64173998344262
C           -3.39882690777051        0.58297724638054        1.33173438482980
C           -2.68945594651190       -0.19749378671568        0.23538803060316
C           -2.69411897804207       -1.69419635204596        0.53753770998054
C           -7.47462690084420       -4.55620504007522        3.70389856180280
C           -7.95452041984544       -5.67548716562802        4.68367522775300
C           -7.03446235503434       -5.84813619756574        5.88709576541108
C           -7.24810957264245       -7.16958387516721        6.62691805474216
C           -8.61742997074721       -7.23489478236296        7.28240329405938
Cl          -8.77391435416296       -8.72499453628810        8.25763928225896
C           -7.51332155727671       -3.21890421100275        4.47238238948950
C           -7.36938861937077       -1.98730258293218        3.57767381246548
C           -8.45222298943974       -1.94611584501458        2.50514998708503
C           -8.39883941854651       -3.23418510758525        1.69635670977442
C           -8.58780816086145       -4.42942293657268        2.62612972950067
C           -2.60871504152383       -5.10825258179402        6.32247757269674
C           -3.73984721629989       -5.33675161002830        7.36755746135209
C           -3.42692810347106       -5.05755734071047        8.83675969324058
C           -4.63786952420634       -5.35642425128785        9.72233825946423
C           -4.37425656259036       -5.05011543034251       11.18784859986174
Cl          -3.10696473810331       -6.12068812078892       11.85470936457852
C           -1.41885125077660       -6.03669709330519        6.67816065854636
C           -0.17257365409695       -5.64058749355693        5.89347702763276
C            0.38233839867817       -4.32067054224805        6.43667746630309
C           -0.72431078418447       -3.50865959213972        7.11055796122452
C           -2.06249403025577       -3.66027008294739        6.38531702595833
H           -0.25847577823418       -2.41871089763672        0.88391559557750
H           -0.38007369643238       -0.84604085818611        1.64560438911784
H            0.06436779306844       -3.45379758513078        3.14461962824849
H            0.11958310888386       -1.83135467825200        3.84446132632080
H            1.90579072481118       -2.70731630076778        1.53404452324194
H            2.02095746063921       -1.20627629462744        2.45225802681759
H            2.59508393306300       -2.58037608116157        4.50905005363457
H            3.77743181465701       -2.72007419351468        3.18204273567993
H           -3.71810039893229       -1.41734932055101        3.12378717196088
H           -2.12462809174979       -1.29327990999684        3.92135886443730
H           -1.63744378045703        0.73228314836828        2.55451336698710
H           -3.14281483138111        0.91315655244654        3.44955309366176
H           -3.42933416324877        1.64634593445115        1.08470030918851
H           -4.42593980338089        0.22504817168495        1.42579069018498
H           -1.67016018182011        0.17709022437671        0.13379984835945
H           -3.19356582417861       -0.03891272073194       -0.71973599178391
H           -2.12610082780676       -2.20243185514376       -0.24308308635466
H           -3.72525777680503       -2.03376047294779        0.46925983218589
H           -8.96957962555911       -5.44503506099862        5.01742059791333
H           -7.99679121611111       -6.61609758478576        4.12777719963020
H           -7.19004581271952       -5.02732755125289        6.59009117550733
H           -6.00158775530567       -5.80158474403606        5.52591779068572
H           -6.48418828653714       -7.27391240452564        7.40013254586146
H           -7.14087444375003       -8.00522788686960        5.93286504180774
H           -9.41895882685664       -7.26287504967328        6.54629375174382
H           -8.77212772396749       -6.39906768324859        7.96509434916145
H           -6.73371444218279       -3.23475069176797        5.22963396044920
H           -8.47769212918527       -3.16072801492142        4.98358174523171
H           -7.42326320588336       -1.07826488895686        4.18857118829229
H           -6.39847327719420       -2.01919734291161        3.07943473921218
H           -8.29336962330585       -1.08627294992954        1.85271895739726
H           -9.43572677372589       -1.84176263263724        2.97014964733687
H           -7.43407744144376       -3.28585253179081        1.18908284209972
H           -9.18173605139494       -3.23567955828300        0.93318234399476
H           -8.69195439955431       -5.35313143558404        2.05737358053638
H           -9.53111264864782       -4.28692574403476        3.16161016324490
H           -4.59369807660994       -4.71956724198701        7.07004400093750
H           -4.05371986079342       -6.38009222976400        7.28110391069854
H           -2.60314419440432       -5.68387247316576        9.17715979505719
H           -3.13717825940085       -4.01362348710073        8.97212554178128
H           -4.91521643009019       -6.40740587898735        9.62064850683143
H           -5.49162963319885       -4.75116079073011        9.40476054235492
H           -4.01789150233740       -4.02867098557036       11.32299817915328
H           -5.26435769504238       -5.21443890204845       11.79487446337255
H           -1.66295989521273       -7.08545069265309        6.52463976943422
H           -1.19461241424047       -5.93514961550324        7.73882736030277
H           -0.42894802817597       -5.51892047773579        4.84037591101185
H            0.58355586152963       -6.42484819887325        5.96242625943999
H            1.17909345068597       -4.51386599739424        7.15835168024387
H            0.81274000175617       -3.74715985254340        5.61730443544156
H           -0.44607330334436       -2.45144256261746        7.12430236567181
H           -0.83280743484957       -3.82041424101551        8.15069118250167
H           -2.78095722629150       -3.01404332691521        6.89246692460857
H           -1.94049090677507       -3.32896887719452        5.34811697499546
N           -4.51798832587060       -2.37255109332425        5.11882748307798
H           -5.24972997984183       -1.70397820865754        4.89955449467359
H           -3.65665678523883       -1.85617850225607        5.26693644559032
H           -4.75591708563420       -2.82986359786295        5.99380042199472
N           -4.89701469223558       -3.37156547840887        2.06890363095443
N           -5.32411472281270       -3.08536367201867        1.06404427722964
116
 energy: -148.605608342870 gnorm: 0.008796492473 xtb: 6.5.1 (b24c23e)
N           -2.46632654465274       -3.45154400432692        2.35670810581022
C           -2.19879365591733       -4.42855434047500        1.32852402539067
C           -2.45015301472890       -5.84401891436201        1.83739425893844
N           -3.78508534501219       -5.94397220983561        2.41880938945950
C           -4.83789765487205       -6.08778419058977        1.43146562091623
C           -6.20239698149199       -5.77885668672332        2.07020000969685
N           -6.14041498302696       -4.88519228494998        3.21616714758684
Mo          -4.12068554070240       -4.17723195385812        3.52537454533425
N           -3.20237659020590       -5.32451721883833        4.97033320647585
C           -3.08248115969682       -6.72049978834211        4.61321426423176
C           -3.88348397941671       -7.04421576455163        3.36514683903391
H           -3.45810114918359       -7.38180612320971        5.41651782336918
H           -2.03229457318620       -7.01447344053108        4.43632348997783
H           -4.93433168765002       -7.14282318772027        3.64112883335497
H           -3.54071481262398       -7.98847657999294        2.91257202189003
H           -6.81248291791791       -5.35013556762184        1.26223189212650
H           -6.68832204796352       -6.72979950025407        2.36003152469644
H           -4.65482057696794       -5.38328056231243        0.61885371808826
H           -4.84239519458999       -7.10477802240477        1.00714243237210
H           -1.15531312043678       -4.38250938255241        0.98301878866749
H           -2.83310679702913       -4.25714419737124        0.43789881438896
H           -1.72586006148115       -6.04589970384263        2.62920484208386
H           -2.31097987399976       -6.57879577578992        1.02887676541046
C           -2.09486655646434       -2.09504570290857        1.93315002703503
C           -0.55558315589079       -1.93097292608541        1.81060037552391
C            0.30891564320412       -2.44950850918003        2.95469729360854
C            1.77972781657398       -2.29907028152256        2.55905216647342
C            2.76096795565199       -2.94096480363378        3.52385916607588
Cl           2.57972596993608       -4.71756338237859        3.52719871750862
C           -2.65466496724312       -1.12739678855893        2.98793315967967
C           -2.62590744086541        0.35692413384242        2.63545237435150
C           -3.35138489613284        0.58809174492014        1.31836654597741
C           -2.64090619974627       -0.20199306563898        0.23029114956212
C           -2.66741390050421       -1.69819778342107        0.53979843235607
C           -7.47621894886598       -4.57366690051375        3.71816673181361
C           -7.93545423780131       -5.71055439985964        4.68762498857411
C           -7.01761958777569       -5.87954790031613        5.89216043848117
C           -7.23661255982116       -7.19704020831756        6.63756042564856
C           -8.60787152817813       -7.25629865269531        7.29005690107984
Cl          -8.77197220743620       -8.74206525249288        8.26918013256734
C           -7.52112569755388       -3.24385518640282        4.49797366618434
C           -7.39301425788624       -2.00582044985009        3.60858538009016
C           -8.49271640861399       -1.96139167892885        2.55430534460466
C           -8.43237434178780       -3.24035941408238        1.73177885584714
C           -8.60223025915037       -4.44561772252945        2.65303220923954
C           -2.61807009974296       -5.08671836034328        6.30479045183840
C           -3.75050169021245       -5.30723612082219        7.35019077675755
C           -3.43577073845742       -5.03179685666940        8.81918811135795
C           -4.64355179948924       -5.34086061435199        9.70507777928735
C           -4.37741224554187       -5.04714106439679       11.17287903471209
Cl          -3.10517069202102       -6.11859041499930       11.82561200891449
C           -1.42613382548356       -6.01114794320426        6.66301963781634
C           -0.18248597559394       -5.60911498645546        5.87684412881444
C            0.37062926278686       -4.29133893856121        6.42629017844475
C           -0.74080685616257       -3.47844972727121        7.09111002860636
C           -2.07434236810424       -3.63712757646731        6.35998315159327
H           -0.23484883734940       -2.43961294576800        0.89874070622918
H           -0.34349710345733       -0.87005109090479        1.66929544203913
H            0.07241757194594       -3.49733627172663        3.14408989388145
H            0.11743994330735       -1.88604053733764        3.87055062308600
H            1.93012766593232       -2.73672071795857        1.56929937337704
H            2.02729786723584       -1.23563208017432        2.49031682065334
H            2.60410556061340       -2.60387645738029        4.54834624660232
H            3.78960874673294       -2.73795818354989        3.22428022585047
H           -3.70157882016117       -1.41061268741942        3.11115675484681
H           -2.11461113725386       -1.29352505688065        3.92365597378053
H           -1.60109643389372        0.72414552505240        2.55770491921382
H           -3.11407916396236        0.91602792997382        3.43805841895310
H           -3.36919576348069        1.65179280654732        1.06983734151688
H           -4.38317928907891        0.24069814395813        1.40355836355040
H           -1.61639199741699        0.15934081901814        0.13548212160831
H           -3.13574911618986       -0.04286856650526       -0.73016801976391
H           -2.11203075922567       -2.21970121922461       -0.24076977685429
H           -3.70579314664949       -2.01803872788190        0.47897663724733
H           -8.95704260097387       -5.50626521024819        5.01896016962576
H           -7.95646485867424       -6.64623485290174        4.12219982150018
H           -7.17081442091559       -5.05479739233331        6.59147919691339
H           -5.98494175216256       -5.83716000363315        5.53203598600203
H           -6.47503842237756       -7.30063918981233        7.41351868249468
H           -7.12951660399824       -8.03647376433007        5.94768173815854
H           -9.40746860138831       -7.28361336349722        6.55158886619931
H           -8.76151976608874       -6.41705020071474        7.96912948689268
H           -6.73734527957229       -3.25598689887230        5.25168475101429
H           -8.48371621465534       -3.19753580746742        5.01517025346312
H           -7.43702010362370       -1.09990634546192        4.22465753669234
H           -6.43219736463937       -2.03534182372206        3.09264817464593
H           -8.35477472178917       -1.09198458082185        1.91032964857761
H           -9.46928725821135       -1.87549514802468        3.03639900536858
H           -7.46955750875208       -3.27580686283827        1.21920268292937
H           -9.22014404346523       -3.24472662834738        0.97400864702813
H           -8.70678671646618       -5.36494158129546        2.07718519510910
H           -9.54057395973674       -4.31385863049910        3.20038017978259
H           -4.59858299561538       -4.68177439387793        7.05282625270218
H           -4.07442632988291       -6.34754807898275        7.26256935637285
H           -2.60802625118236       -5.65499932256839        9.15577671167191
H           -3.15082193733376       -3.98680789306264        8.95796464951534
H           -4.91784476733477       -6.39191877654510        9.59517346859545
H           -5.49998110192761       -4.73585827198541        9.39435096896363
H           -4.02538968254399       -4.02513945462289       11.31694506446532
H           -5.26610754383237       -5.22027608833803       11.77991644137713
H           -1.66633015901804       -7.06089032102700        6.50978138787548
H           -1.20190034591600       -5.90838674904986        7.72355015002083
H           -0.44385686442525       -5.48125490186048        4.82542731099245
H            0.57611282008597       -6.39168270069449        5.93797206521907
H            1.16095362898546       -4.48707588381909        7.15438511542775
H            0.80872217578615       -3.71786213033556        5.61121065720198
H           -0.46560694930985       -2.42027639939421        7.10167760049646
H           -0.85418506291458       -3.78574180755941        8.13205638493718
H           -2.79637737297993       -2.98894349668298        6.85938505217433
H           -1.94888891522619       -3.31290463579988        5.32087838711324
N           -4.52738392468464       -2.36089227770736        5.09479958916510
H           -5.26432329778048       -1.70147925494548        4.86161194543763
H           -3.67308592440188       -1.83361423188482        5.24386834634608
H           -4.76878659915630       -2.80971398003468        5.97386581251881
N           -4.90129667807454       -3.34894094501001        2.07382409646970
N           -5.34464834434904       -3.01388198667336        1.08567647700080
116
 energy: -148.607018635441 gnorm: 0.017789636219 xtb: 6.5.1 (b24c23e)
N           -2.46231766092672       -3.45517847070042        2.35145089171531
C           -2.20393086930892       -4.42788392056651        1.31578951116289
C           -2.45902021938392       -5.84437984021384        1.81798414977485
N           -3.79184991705731       -5.93578542341072        2.40595148359584
C           -4.84669652892294       -6.06943099262035        1.41789401256085
C           -6.21073604434536       -5.76729905533589        2.06013061651558
N           -6.14653484863315       -4.88415519854203        3.21315850471832
Mo          -4.12367871255352       -4.16911532175704        3.51436467965751
N           -3.21076203499742       -5.31143784613325        4.95403446640674
C           -3.08908295456549       -6.70916608667339        4.60019275251718
C           -3.89254605979250       -7.03533155746841        3.35381268058668
H           -3.46187294659487       -7.36831399094090        5.40613354338908
H           -2.03843233530411       -7.00001816216088        4.42230624280581
H           -4.94340884548968       -7.12987753190930        3.63070348046902
H           -3.55230671863369       -7.98098846699466        2.90297007735779
H           -6.82386659711429       -5.33309984287324        1.25680873338157
H           -6.69478824737572       -6.72214307819125        2.34085218503036
H           -4.66221229667244       -5.35438233442567        0.61372852720937
H           -4.85083807488837       -7.08184898741206        0.98072331290458
H           -1.16312187190085       -4.38302630989541        0.96278185117155
H           -2.84519380025953       -4.24964239235829        0.43244359330809
H           -1.73072378585266       -6.05749217641073        2.60322895082609
H           -2.33156582002040       -6.57483093389440        1.00380066357931
C           -2.07561742502561       -2.10073386198962        1.93368121951349
C           -0.53413915282412       -1.95093318166050        1.82140129150275
C            0.31824086831123       -2.48723623361201        2.96700801913920
C            1.79340084725100       -2.32949003840811        2.58982407140924
C            2.76955765395850       -2.96572615186598        3.56393566378683
Cl           2.59833527740739       -4.74302200490955        3.56932400858875
C           -2.63554684602963       -1.12753675942350        2.98294286674827
C           -2.58857038311903        0.35634769920512        2.62918654606980
C           -3.29947497152757        0.59489947735067        1.30500983158925
C           -2.58925246453329       -0.20489915283925        0.22434148173717
C           -2.64130817825667       -1.70040160766813        0.53817765358759
C           -7.47977267169446       -4.59288763567893        3.73184212397751
C           -7.92118541847672       -5.74444019689039        4.69233117856993
C           -7.00227177338103       -5.91057285120124        5.89577652616383
C           -7.22299394454376       -7.22488495541699        6.64588181983331
C           -8.59575415789622       -7.27811504971556        7.29666367888772
Cl          -8.76709735530291       -8.75835593575734        8.28155947011594
C           -7.52994834517939       -3.27169152367714        4.52469760062974
C           -7.42053160264785       -2.02406139371566        3.64468844298689
C           -8.53487299770460       -1.97812055724999        2.60609148431455
C           -8.46831426865777       -3.24774186258568        1.76833203859795
C           -8.61720056803796       -4.46456234371120        2.67874484177824
C           -2.62739861734868       -5.06617733801354        6.28766123639976
C           -3.76025311232986       -5.28111714405726        7.33282193851106
C           -3.44534370876921       -5.00625939751078        8.80139424787074
C           -4.65017321332310       -5.32454720794279        9.68759813266009
C           -4.38107353271320       -5.04285575164044       11.15721634983122
Cl          -3.10315446756237       -6.11510599210992       11.79565209659769
C           -1.43288979379715       -5.98599107797737        6.64875555468597
C           -0.19230087498167       -5.57805275827150        5.86108120611417
C            0.35905543620852       -4.26274113761257        6.41734991814444
C           -0.75741480434372       -3.44841895361374        7.07224869193410
C           -2.08681260892520       -3.61488747003981        6.33610773040824
H           -0.21178664761402       -2.45488882887200        0.90726809329989
H           -0.31011226728154       -0.89104845191521        1.69069665807702
H            0.08046296419635       -3.53817570968364        3.13746254284084
H            0.11573817405521       -1.93812797670841        3.88942112378934
H            1.95752908981796       -2.76488853996122        1.60109690847957
H            2.03609221118788       -1.26455964390878        2.52562507122941
H            2.60427573445514       -2.62738102587406        4.58685218359430
H            3.79954586543475       -2.75754261631709        3.27189692246573
H           -3.68617829627938       -1.40065151590573        3.09614562444198
H           -2.10637842134853       -1.29706809514360        3.92436085122407
H           -1.55891414494542        0.71280653431817        2.56073558140265
H           -3.07832636138684        0.92099777025042        3.42712362620996
H           -3.30328698574138        1.65862543028890        1.05616060708286
H           -4.33618600823815        0.25922367393368        1.38107757583586
H           -1.55692674730644        0.14052473738171        0.13745541407032
H           -3.07374403679212       -0.04172519655290       -0.74214608767058
H           -2.09424325355396       -2.23329631496578       -0.24238744963739
H           -3.68626137254814       -2.00219343022939        0.48011697129815
H           -8.94484101086000       -5.55675810336115        5.02371441976578
H           -7.92924342007244       -6.67542036689160        4.12074026116945
H           -7.15413060031242       -5.08417580474313        6.59374948973393
H           -5.97044569349064       -5.86864179349208        5.53475585969342
H           -6.46298618590784       -7.32631393627798        7.42384896653620
H           -7.11605752889857       -8.06798917671590        5.96037545982288
H           -9.39391061967527       -7.30533763571974        6.55634383553393
H           -8.74778062194309       -6.43471830326031        7.97122808036991
H           -6.73995508291396       -3.28266544876290        5.27360810007369
H           -8.48976920953365       -3.23803595154345        5.05006068208111
H           -7.46272888257450       -1.12494127282538        4.27005831780794
H           -6.46848140574989       -2.04190152354158        3.11344577988433
H           -8.41561198956094       -1.09869886443067        1.96995266907466
H           -9.50641673011940       -1.90918191918919        3.10327045443153
H           -7.50911889795973       -3.26717288037824        1.24783352915186
H           -9.26269262861636       -3.25295397609774        1.01798148376558
H           -8.71896966701445       -5.37878607275576        2.09400830612452
H           -9.55143534068744       -4.34687077996113        3.23653772647558
H           -4.60524212665126       -4.65215449620839        7.03437540339998
H           -4.08900715160079       -6.31979635724401        7.24577668152204
H           -2.61357007447733       -5.62540832837529        9.13566544333936
H           -3.16584582021973       -3.95993365802895        8.94199173389682
H           -4.92218516033707       -6.37541422918512        9.56970025461154
H           -5.50879689167671       -4.71929117068186        9.38346938233020
H           -4.03292692228240       -4.02061299430282       11.30931396391159
H           -5.26772358457753       -5.22460930742617       11.76500640063635
H           -1.66939764287896       -7.03681290326010        6.49714592486189
H           -1.20866468927295       -5.88046443639244        7.70902862721918
H           -0.45844534314912       -5.44363912799180        4.81144139846058
H            0.56892455670761       -6.35877117265792        5.91405104706666
H            1.14212729974758       -4.46135632224259        7.15267822885206
H            0.80591608015060       -3.68943100600105        5.60715755345324
H           -0.48494730216284       -2.38927404780017        7.07832601014466
H           -0.87511793263856       -3.74975910688805        8.11448844481887
H           -2.81233460935253       -2.96541677611827        6.82871259120632
H           -1.95889174272912       -3.29679610916532        5.29551487375114
N           -4.53707440958100       -2.34955910676229        5.07229309237595
H           -5.27721378634145       -1.69943273579105        4.82294039540608
H           -3.69037572951898       -1.81130026290481        5.22556575390217
H           -4.78443095786908       -2.78891334615132        5.95415290524345
N           -4.90530519383518       -3.32010213530485        2.07827621380223
N           -5.36699236928693       -2.94006830220054        1.11099167293078
116
 energy: -148.608253806363 gnorm: 0.017715125180 xtb: 6.5.1 (b24c23e)
N           -2.45967600088958       -3.45742963792171        2.34465662018600
C           -2.20606622635863       -4.42756385740489        1.30468833621647
C           -2.46653004746057       -5.84441780122796        1.80203538376746
N           -3.79845922611760       -5.92769223195664        2.39388515089968
C           -4.85487844906587       -6.05253320633286        1.40575884509499
C           -6.21863653525005       -5.75572821005386        2.05079246511819
N           -6.15301734453635       -4.88399380082525        3.21198886918029
Mo          -4.12712159510056       -4.15952776717220        3.50411505592450
N           -3.21884156549639       -5.29986493486932        4.93945518784600
C           -3.09656744971138       -6.69941729249368        4.58867786649964
C           -3.90143008167484       -7.02676743165215        3.34305716714919
H           -3.46824376636287       -7.35554459989005        5.39692077368396
H           -2.04583893557532       -6.98829716615042        4.41093051020801
H           -4.95254673081212       -7.11904560842927        3.61973192191086
H           -3.56274238536107       -7.97339219104330        2.89339808150549
H           -6.83266497982030       -5.31489288337516        1.25112954613456
H           -6.70246995473937       -6.71344156300182        2.32238775232793
H           -4.66858347158582       -5.32861392074968        0.60920104475817
H           -4.86006988338438       -7.06065245037125        0.95778110158759
H           -1.16640337297800       -4.38297648805246        0.94971080507108
H           -2.84933073207599       -4.24427909080771        0.42489951972645
H           -1.73652499140261       -6.06695412084011        2.58277715173692
H           -2.34810975642945       -6.57181349756900        0.98407587322574
C           -2.05742263202928       -2.10541369685530        1.93079785312333
C           -0.51348953080599       -1.96811909656942        1.82727512273261
C            0.32766019667025       -2.52053886861568        2.97365315165225
C            1.80728514178671       -2.35731709537530        2.61537018006059
C            2.77439650477267       -2.98932178607551        3.60146751303337
Cl           2.61043081885207       -4.76721581025549        3.60843727096237
C           -2.61563588474828       -1.12701838213558        2.97601392512282
C           -2.54701084084261        0.35632757848056        2.62272569661640
C           -3.24390822299111        0.60413612971162        1.29240124089659
C           -2.53832091234805       -0.20621888644606        0.21795833841878
C           -2.61521394560101       -1.70016238797455        0.53311218719877
C           -7.48456713768139       -4.61211164438824        3.74464659248715
C           -7.91128917422745       -5.77542528941015        4.69784222890990
C           -6.98893317778324       -5.94031149807634        5.89870364809971
C           -7.20834910583676       -7.25286445555419        6.65182808386804
C           -8.58167179611173       -7.30103357346213        7.30271199228781
Cl          -8.75790731738085       -8.77536426706175        8.29468072983312
C           -7.53967238921148       -3.29974553780475        4.55081730432699
C           -7.45166061679040       -2.04118767995584        3.68315922205854
C           -8.57683957500424       -1.99625342314149        2.65671188320578
C           -8.50527978344449       -3.25639659263093        1.80440583374658
C           -8.63212861183533       -4.48479406557529        2.70264646480741
C           -2.63627995997622       -5.04777315317273        6.27273870675517
C           -3.76938586303073       -5.26033797940227        7.31655889898975
C           -3.45529328877644       -4.98228858361833        8.78440591527221
C           -4.65767402904736       -5.30836641117078        9.67080042773238
C           -4.38491833752792       -5.03727599535446       11.14159493606210
Cl          -3.10128773337508       -6.11027550710270       11.76688439912649
C           -1.43909038024090       -5.96297651739580        6.63579382508872
C           -0.20149839647118       -5.54958485227353        5.84693499188307
C            0.34776543711005       -4.23690587447945        6.41054176302324
C           -0.77348247081768       -3.42051147443029        7.05517665983181
C           -2.09956221086249       -3.59480096169956        6.31517426649630
H           -0.18969464984564       -2.46565415813286        0.91006030699857
H           -0.28043700279982       -0.90905621616581        1.70841203270007
H            0.08883465127387       -3.57354575725045        3.12724960920735
H            0.11489971394047       -1.98371164742807        3.90058921839001
H            1.98593609808759       -2.79070322256555        1.62822920516185
H            2.04680345408961       -1.29142887209171        2.55607964184090
H            2.59687610647817       -2.64970598792513        4.62212479982977
H            3.80709084662238       -2.77785064524014        3.32126393284309
H           -3.67038493806948       -1.38726901634321        3.07950912063708
H           -2.09769217443921       -1.30332809185063        3.92236271812318
H           -1.51215162622234        0.69957713894147        2.56254471575299
H           -3.03580269262540        0.92795194976071        3.41658802054700
H           -3.23306598797209        1.66756077921934        1.04377731206325
H           -4.28495931262252        0.28127488039827        1.36088936679640
H           -1.49983265761926        0.12112468583110        0.13501860164924
H           -3.01427105799958       -0.03603544004350       -0.75146951838023
H           -2.07777509910591       -2.24372699037303       -0.24602314098560
H           -3.66385090700396       -1.98504995177034        0.47616356308451
H           -8.93430875274635       -5.59725870083084        5.03220896294334
H           -7.91271783787428       -6.70242300872732        4.12181282727388
H           -7.14045732390732       -5.11436934948084        6.59719651633097
H           -5.95845611845740       -5.89617419568239        5.53541049726875
H           -6.44874754889330       -7.35156576558071        7.43051441515489
H           -7.10198533125793       -8.09879829972470        5.96994212631606
H           -9.37930904228325       -7.32937951720422        6.56174793879113
H           -8.73176544007639       -6.45349532753598        7.97259668466642
H           -6.74235985179444       -3.31083255136128        5.29307135550019
H           -8.49512407262024       -3.27922087232484        5.08564831524833
H           -7.49814023226630       -1.15094760369042        4.32008533559115
H           -6.50718480281518       -2.04123278632287        3.13934819090636
H           -8.47116399488214       -1.10936368348782        2.02789444801662
H           -9.54462417697123       -1.94038333952812        3.16312232635905
H           -7.55099177927140       -3.26052770050683        1.27461931705679
H           -9.30721120189859       -3.26131007328497        1.06245303187785
H           -8.72755876686457       -5.39350072086778        2.10807319821295
H           -9.56342986322607       -4.38422509498316        3.26866111307317
H           -4.61406200945664       -4.63244855508271        7.01578811269403
H           -4.09742847503537       -6.29911322203920        7.23193810080022
H           -2.61964961031826       -5.59647121763076        9.11813787994319
H           -3.18192866697302       -3.93431234834919        8.92470615006589
H           -4.92823804783803       -6.35876973416105        9.54577912606388
H           -5.51790529944209       -4.70234515329031        9.37285618278173
H           -4.03976951845419       -4.01518069035100       11.30051151850771
H           -5.26890259965083       -5.22696789361490       11.75080473379987
H           -1.67209404734866       -7.01482339965724        6.48637221035088
H           -1.21499947547937       -5.85394706664716        7.69570161737962
H           -0.47170817316291       -5.40858416298683        4.79911195610289
H            0.56214927848712       -6.32843884103781        5.89221378151808
H            1.12298792789292       -4.43872994826697        7.15341148991092
H            0.80405412617300       -3.66387180074186        5.60578469790028
H           -0.50361738615011       -2.36047365212969        7.05535343026984
H           -0.89491578528834       -3.71468640698879        8.09904813371603
H           -2.82818813885715       -2.94510666705806        6.80268974865396
H           -1.97013327634513       -3.28155546881004        5.27355017247843
N           -4.54764556961643       -2.33534150373808        5.05104380407690
H           -5.29227550504111       -1.69484220829854        4.78901498788138
H           -3.70827063178260       -1.78638616690610        5.20873609050807
H           -4.79927555913739       -2.76980085867817        5.93458831051846
N           -4.91050594009196       -3.28785134014588        2.08286491794539
N           -5.38603742535032       -2.87647786776950        1.13530396581964
116
 energy: -148.609375917067 gnorm: 0.008155078893 xtb: 6.5.1 (b24c23e)
N           -2.45806829798716       -3.45705414905244        2.33738477108590
C           -2.20524376171845       -4.42708289502179        1.29631450522018
C           -2.47310882786739       -5.84335234498665        1.79054406402056
N           -3.80490316802549       -5.91844164246808        2.38407017507079
C           -4.86188455130198       -6.03488325980895        1.39595244404871
C           -6.22573543264124       -5.74304115008523        2.04270967974062
N           -6.16024900938447       -4.88286521458639        3.21153212600135
Mo          -4.13159605448702       -4.14726484023308        3.49461229832900
N           -3.22687967855372       -5.28989073986836        4.92569962545881
C           -3.10523398449405       -6.69116606969905        4.57883777052367
C           -3.91050018942312       -7.01804717091896        3.33294823638049
H           -3.47759332097924       -7.34429427573552        5.38860158673677
H           -2.05475819847925       -6.97995222317078        4.40213931214943
H           -4.96192838016337       -7.10977403682414        3.60850351509239
H           -3.57242446984588       -7.96485451867130        2.88308982621085
H           -6.83936861466243       -5.29505598658572        1.24645230216734
H           -6.71016668008119       -6.70266264314410        2.30549915405516
H           -4.67426475625397       -5.30309497612223        0.60666566987161
H           -4.86839490897128       -7.03866886569096        0.93840123802543
H           -1.16437030213474       -4.38426002416806        0.94437993904949
H           -2.84628741518169       -4.24035522571400        0.41576165234828
H           -1.74325870760255       -6.07382893581583        2.56865343948520
H           -2.36189002711661       -6.56917775597730        0.97039887585302
C           -2.04146969824873       -2.10859205790733        1.92573114668518
C           -0.49510353475202       -1.98387173431772        1.82844214611863
C            0.33572798478868       -2.55094683927688        2.97471467270397
C            1.81960652436787       -2.38375433267423        2.63558400456728
C            2.77445316334938       -3.01258739116972        3.63566438011410
Cl           2.61554283212654       -4.79101238289087        3.64342202230333
C           -2.59520167696337       -1.12469991710598        2.96804158142391
C           -2.50065840124096        0.35750139644019        2.61623827739289
C           -3.18467018571842        0.61551522913907        1.28099141607561
C           -2.48671385934933       -0.20659268405024        0.21042290526878
C           -2.59005358576825       -1.69820531610819        0.52557116788875
C           -7.49005317756193       -4.62982829903581        3.75678626543203
C           -7.90284771474502       -5.80390463142498        4.70352740846349
C           -6.97518284735828       -5.96969839054735        5.90043312597060
C           -7.19143347177685       -7.28190592042909        6.65481223423266
C           -8.56396675612937       -7.32638755097173        7.30816812431593
Cl          -8.74172736341993       -8.79461694605613        8.30856415111515
C           -7.55009804487193       -3.32656582930099        4.57652411321153
C           -7.48659269256392       -2.05739125245274        3.72293820205891
C           -8.62003117148680       -2.01508364719711        2.70585327340834
C           -8.54350925124596       -3.26575421156386        1.84003746550195
C           -8.64650641870749       -4.50552952693167        2.72472622856383
C           -2.64532937520882       -5.03210728408866        6.25891225375964
C           -3.77784251816629       -5.24485436838092        7.30157353244091
C           -3.46596336545104       -4.95918047383067        8.76839840420551
C           -4.66617736699689       -5.29150525498239        9.65518056499850
C           -4.38963811463266       -5.02972879971013       11.12665580422598
Cl          -3.10058394998611       -6.10346767346122       11.74014989399212
C           -1.44541857093050       -5.94244774326603        6.62370978372612
C           -0.21072478365654       -5.52324248619913        5.83413749862353
C            0.33596770330793       -4.21342527762484        6.40579906987002
C           -0.79006686602464       -3.39464378153985        7.03952004185178
C           -2.11359323868391       -3.57736765199237        6.29673150013952
H           -0.17056403105117       -2.47458837525357        0.90788736440116
H           -0.25442510163223       -0.92583500980691        1.72128488961180
H            0.09634735238214       -3.60525187527255        3.11346501029492
H            0.11296308700472       -2.02462240300187        3.90454647127022
H            2.01318768527242       -2.81574386469625        1.65075951331414
H            2.05719092077209       -1.31727293288344        2.58093687346644
H            2.58131265594443       -2.67189237786157        4.65335009989003
H            3.81084977940832       -2.79896468172168        3.37102579298817
H           -3.65452310238457       -1.36886821199459        3.06231942140972
H           -2.08853958670168       -1.31055035944116        3.91840094287478
H           -1.45998712115195        0.68416608716548        2.56319824686185
H           -2.98522536176844        0.93771748625621        3.40663808646265
H           -3.15506872538793        1.67838251828428        1.03266806361438
H           -4.23096339535725        0.30905658616898        1.34251986925881
H           -1.44137663655764        0.10223100445353        0.13221569685888
H           -2.95423580634888       -0.02780552574161       -0.76160644848911
H           -2.05764626984565       -2.25084671927804       -0.25118362001058
H           -3.64212197467445       -1.96874160494149        0.46493896470592
H           -8.92432825360285       -5.63243054699407        5.04410283591066
H           -7.90148535430115       -6.72740800198175        4.12269267053346
H           -7.12630176997212       -5.14561908081020        6.60085132923517
H           -5.94658100746655       -5.92227918562622        5.53348672282063
H           -6.43072662207219       -7.37836875649522        7.43253164696926
H           -7.08647081938573       -8.12952372332651        5.97516902871814
H           -9.36235415698640       -7.35746421608183        6.56817746996349
H           -8.71184539936989       -6.47481154173400        7.97335480220539
H           -6.74373007935146       -3.33737079752290        5.30958045384567
H           -8.49940244364322       -3.32101571480281        5.12248688498737
H           -7.54166297218478       -1.17751401758720        4.37301288689705
H           -6.54883263366564       -2.03526599903328        3.16903534595131
H           -8.52550876253495       -1.12177953337818        2.08405567524910
H           -9.58542917880182       -1.97174578640977        3.21858272689989
H           -7.59597336053690       -3.25476706685934        1.29876944798989
H           -9.35455729865694       -3.27062911724310        1.10799286788961
H           -8.73248927852129       -5.40813294572448        2.11948523557187
H           -9.57549421346273       -4.42544275491886        3.29753775738067
H           -4.62501914388694       -4.62239143429242        6.99706439029226
H           -4.10014703713369       -6.28557153483920        7.22183345891201
H           -2.62624704091737       -5.56679386836812        9.10375748483285
H           -3.19992509568523       -3.90900556310967        8.90567473002695
H           -4.93618489200512       -6.34117608458246        9.52383318036275
H           -5.52744523681495       -4.68425412032732        9.36299171454818
H           -4.04668870940823       -4.00805619649840       11.29147083064098
H           -5.27064883994813       -5.22667978194759       11.73751580921809
H           -1.67474939458767       -6.99523611432955        6.47598706114219
H           -1.22150580738359       -5.83010621809128        7.68330570357914
H           -0.48451083757567       -5.37548852752663        4.78820606607037
H            0.55535327842673       -6.29998214214521        5.87197948341183
H            1.10238435301301       -4.41902264111677        7.15671891399281
H            0.80263675937816       -3.64067582067373        5.60731991484562
H           -0.52294350119823       -2.33380447429482        7.03212186825135
H           -0.91459970467562       -3.68031468922960        8.08536334383176
H           -2.84536860266502       -2.92851861875297        6.78036530277361
H           -1.98355539338425       -3.26792475641344        5.25434663295745
N           -4.55788807507335       -2.31893190152611        5.03307869207231
H           -5.30551610683230       -1.68800495491046        4.75855978788338
H           -3.72541090137228       -1.76090867446102        5.19545984736816
H           -4.81507172129392       -2.74818228807124        5.91717435973266
N           -4.91789597991714       -3.25428978935809        2.08627726355763
N           -5.40344649140699       -2.82212750377587        1.15732177432204
116
 energy: -148.610315841860 gnorm: 0.004859819959 xtb: 6.5.1 (b24c23e)
N           -2.45787442089268       -3.45541764567340        2.32992480318921
C           -2.20143654606485       -4.42672439524503        1.29122079297843
C           -2.47928596275171       -5.84137717379013        1.78288437517998
N           -3.81147843074053       -5.90726750927865        2.37572334987805
C           -4.86747337068086       -6.01365194017740        1.38637773163121
C           -6.23149950011450       -5.72762332490264        2.03422883555537
N           -6.16626565182554       -4.87928231633583        3.21042292257392
Mo          -4.13504009786546       -4.13469853799969        3.48707183688621
N           -3.23481208401515       -5.28161618251355        4.91383691023723
C           -3.11565000723556       -6.68349654647468        4.56987089370069
C           -3.92080896186345       -7.00817357379452        3.32259721120544
H           -3.48978705235352       -7.33489543953729        5.38003178105552
H           -2.06561869141881       -6.97447160241291        4.39448041769616
H           -4.97237194104378       -7.10016838564886        3.59682638244382
H           -3.58300931575668       -7.95455337412101        2.87122623706112
H           -6.84500033801111       -5.27229689829456        1.24175908413068
H           -6.71568105812107       -6.68984791925276        2.28766167192295
H           -4.67919772873348       -5.27267322951318        0.60598988324961
H           -4.87457060070612       -7.01232797468064        0.91776177633457
H           -1.15759809638177       -4.38798658490325        0.94829007178752
H           -2.83382606437563       -4.23683079290182        0.40544467189017
H           -1.75116283832046       -6.07928167980530        2.56005776899764
H           -2.37396330860535       -6.56667308333279        0.96151452970810
C           -2.02775032568000       -2.11210166791595        1.91946167707879
C           -0.47929031265098       -2.00113053213397        1.82675669508640
C            0.34077700836468       -2.58242494224238        2.97326438351294
C            1.82826120511637       -2.41102853224288        2.65297980482116
C            2.77036910302954       -3.03668003706510        3.66695952091978
Cl           2.61645340675518       -4.81566261310693        3.67445141469295
C           -2.57351984994793       -1.12111604915922        2.95933323799153
C           -2.44862959129660        0.35926049392735        2.60843220549127
C           -3.12002722562217        0.63076043725112        1.26963420193651
C           -2.43759826205766       -0.20809900372797        0.20168580014199
C           -2.56866569684154       -1.69650500465245        0.51852300172294
C           -7.49376479028724       -4.64555354794591        3.76848024716973
C           -7.89069781757124       -5.83229898629883        4.70766828790827
C           -6.95705186690894       -6.00045075719124        5.89976004890874
C           -7.17087101654624       -7.31299565056487        6.65447578419853
C           -8.54129985734321       -7.35484906564486        7.31243846032328
Cl          -8.71679403206320       -8.81732113236048        8.32189313082569
C           -7.56035163078352       -3.35155005336018        4.60209279635041
C           -7.52365613882298       -2.07261435763394        3.76319357789036
C           -8.66487186462518       -2.03390363153121        2.75471233045435
C           -8.58242660476397       -3.27450991158993        1.87549972253211
C           -8.65953228218244       -4.52518844309747        2.74623228803293
C           -2.65495145244768       -5.01880617392116        6.24642603372959
C           -3.78666621158959       -5.23228797230336        7.28854381795861
C           -3.47776284421617       -4.93517139644859        8.75382645504377
C           -4.67600087547815       -5.27293570218226        9.64107575976573
C           -4.39623157373496       -5.01981445932200       11.11321837530195
Cl          -3.10255305997996       -6.09428089545121       11.71629614027639
C           -1.45220963465290       -5.92387397094895        6.61258663572841
C           -0.22057144675539       -5.49763669744023        5.82233014685617
C            0.32274597691583       -4.19080072993092        6.40284748630915
C           -0.80821489902154       -3.36973718923896        7.02510706538132
C           -2.12925389191638       -3.56209140072163        6.28000063238776
H           -0.15537557794055       -2.48660655659700        0.90341201817627
H           -0.22906327916978       -0.94469841037163        1.72973306916190
H            0.10126167891130       -3.63820599719604        3.09740705778546
H            0.10708201236110       -2.06675351207331        3.90611377835512
H            2.03637617887157       -2.84234802952080        1.67094897319167
H            2.06363949224464       -1.34387518302055        2.60211090663845
H            2.56065824726233       -2.69545779731954        4.68129183605387
H            3.81026415307670       -2.82031955331278        3.41870619098000
H           -3.63795665066115       -1.34580494896495        3.04526339990758
H           -2.07834167413089       -1.31741219261734        3.91343552698692
H           -1.40162461634659        0.66600570958883        2.56161879509048
H           -2.92617703066318        0.94946814071956        3.39573493726761
H           -3.06542316403051        1.69272037732085        1.01996749367112
H           -4.17304114794226        0.34768477740130        1.32699597597325
H           -1.38771162959578        0.08001903928355        0.12234726585767
H           -2.90067514814355       -0.02119387359020       -0.76936069066960
H           -2.04586842447228       -2.26083864379522       -0.25601108263514
H           -3.62524236022923       -1.94984931095110        0.45771205149767
H           -8.91209325387099       -5.67156088553189        5.05616468571227
H           -7.88521985002024       -6.75184678932473        4.11920317799491
H           -7.10568438786548       -5.17781919586328        6.60202999249961
H           -5.93051761019775       -5.95182841200859        5.52855238146794
H           -6.40770657182402       -7.40895244734339        7.42973590023632
H           -7.06857024466212       -8.16128581587304        5.97543849971979
H           -9.34178287476747       -7.39018391131001        6.57506262208533
H           -8.68687197298462       -6.49954745233814        7.97324355163130
H           -6.74446288761346       -3.35980054126031        5.32441986102109
H           -8.50248590046065       -3.36379493908063        5.15968258675909
H           -7.58685867491958       -1.20247303702177        4.42542968716906
H           -6.59243185000686       -2.02888074104064        3.20020891176903
H           -8.58175075633919       -1.13460732135792        2.14065894348413
H           -9.62765986472714       -2.00398178890726        3.27249685313125
H           -7.64224230919582       -3.24672954475265        1.32210740186832
H           -9.40296766063436       -3.28105029199207        1.15376936055782
H           -8.73504216295178       -5.42113612779684        2.13001449879086
H           -9.58588324577618       -4.46744415325591        3.32583124318758
H           -4.63747432975454       -4.61723738029539        6.97882948086473
H           -4.10126081596882       -6.27595084786349        7.21584014693740
H           -2.63329772165142       -5.53423546315708        9.09260275508417
H           -3.22059657476820       -3.88210772216814        8.88552438833816
H           -4.94582430982104       -6.32183679890261        9.50391918083566
H           -5.53804292264344       -4.66431493614423        9.35425669948373
H           -4.05532155514596       -3.99849968302364       11.28383648091443
H           -5.27469352252613       -5.22359548865746       11.72513702590882
H           -1.67713983252746       -6.97753410714923        6.46498828508104
H           -1.22864102278901       -5.80956066368328        7.67206171472300
H           -0.49842512389154       -5.34272494253151        4.77851024527109
H            0.54830463912995       -6.27179516319190        5.85222751847241
H            1.07944807398080       -4.40066320530892        7.16227805951828
H            0.80047009264665       -3.61816829480881        5.61139916178222
H           -0.54467771654216       -2.30805549043235        7.00891887784125
H           -0.93576174706780       -3.64615570847322        8.07302187608808
H           -2.86464576935143       -2.91497701876475        6.76008481021942
H           -1.99910125251216       -3.25635543447431        5.23668681296300
N           -4.56758522525831       -2.30023793508044        5.01600968733791
H           -5.32049955579258       -1.68078028333119        4.72872139060027
H           -3.74241405370173       -1.73168819449683        5.18094040394067
H           -4.82976477319381       -2.72442383341379        5.90145621959968
N           -4.92648858677982       -3.22319763107285        2.09203827080226
N           -5.42145684117450       -2.76417744570858        1.18295524899902
116
 energy: -148.611097341176 gnorm: 0.004225166532 xtb: 6.5.1 (b24c23e)
N           -2.45848650147652       -3.45158976924119        2.32226169309590
C           -2.19769389565236       -4.42594606781857        1.28680987395388
C           -2.48595856025858       -5.83802868858272        1.77747238586393
N           -3.81890116636313       -5.89489395886229        2.36836228448963
C           -4.87303349618689       -5.99226149405425        1.37708752487315
C           -6.23710691092921       -5.71013347617743        2.02548687361776
N           -6.17130569955852       -4.87270169201629        3.20889312537302
Mo          -4.13931546926986       -4.12101471322863        3.47891827891632
N           -3.24336413150077       -5.27287191051003        4.90329391682858
C           -3.12800868410367       -6.67486407702928        4.56172321476038
C           -3.93271722301911       -6.99720966337480        3.31275728360956
H           -3.50461311762843       -7.32544590569780        5.37173545241624
H           -2.07840344113572       -6.96967671951580        4.38789691353886
H           -4.98443417761273       -7.08914369052772        3.58554147291658
H           -3.59532984201225       -7.94318298235867        2.85971241081275
H           -6.85007349158923       -5.24699303066512        1.23672718799351
H           -6.72219027352540       -6.67444977877719        2.26977337736261
H           -4.68347724247729       -5.24445600573103        0.60408085617615
H           -4.88081333159647       -6.98675300115934        0.89981265255289
H           -1.14940491992305       -4.39378561366118        0.95386031614659
H           -2.82059081222750       -4.23418558502869        0.39325709886583
H           -1.76037938019167       -6.08121263429351        2.55532657354326
H           -2.38473986496803       -6.56415036596322        0.95614826547515
C           -2.01485368682054       -2.11389396804623        1.91277213876530
C           -0.46419501302028       -2.01808942271642        1.82360944543370
C            0.34554724380248       -2.61147673820240        2.97087532551896
C            1.83588697519988       -2.43755303391391        2.66712906158479
C            2.76669172194976       -3.06034998242476        3.69277573633291
Cl           2.61582641148258       -4.83971965027760        3.70046634582762
C           -2.55114056258045       -1.11499888423676        2.95034135960198
C           -2.39516654336245        0.36272264039399        2.60053463507644
C           -3.05383126232640        0.64769119442948        1.25808965485848
C           -2.38845202446369       -0.20840802255119        0.19115814711383
C           -2.54859825517315       -1.69300543824916        0.51127282331555
C           -7.49696897510830       -4.66010756836594        3.77987444137450
C           -7.87664035166275       -5.86032746933677        4.71063523430674
C           -6.93743793246946       -6.03171712862611        5.89770125609797
C           -7.14888772173344       -7.34550236523052        6.65157276023001
C           -8.51558110335585       -7.38713453941263        7.31698203844855
Cl          -8.68245614601125       -8.84516062819108        8.33523202780042
C           -7.57037275899264       -3.37539242941672        4.62731881304854
C           -7.56319277842274       -2.08787437261390        3.80161037180233
C           -8.71384635573957       -2.05356790929041        2.80278960294863
C           -8.62124677863603       -3.28377395923561        1.90979643843006
C           -8.67194019389163       -4.54452742853551        2.76698847760350
C           -2.66553188764680       -5.00704279099752        6.23533143820982
C           -3.79614459397110       -5.22192941349564        7.27768642629664
C           -3.49073425130655       -4.91138957861041        8.74098085973798
C           -4.68687812716842       -5.25384378333570        9.62921259781120
C           -4.40429503402055       -5.00763765906451       11.10180178321799
Cl          -3.10683607798613       -6.08283184830136       11.69643564273932
C           -1.46051508931912       -5.90787549423687        6.60238157736513
C           -0.23109898557235       -5.47460635273574        5.81268261528478
C            0.30861590549368       -4.17087377484283        6.40237214751538
C           -0.82714623461203       -3.34763907891724        7.01333797001282
C           -2.14579382622131       -3.54855479508798        6.26602971454294
H           -0.14143019173683       -2.50125502468007        0.89881708955132
H           -0.20306424827926       -0.96398222228071        1.73322968946866
H            0.10559015341062       -3.66826777292767        3.08325339126864
H            0.10226941237697       -2.10458337217770        3.90580425447385
H            2.05597883288298       -2.86898302321240        1.68800271810624
H            2.06973380934793       -1.36995651784679        2.61845764190375
H            2.54334670539633       -2.71839063538147        4.70374617092675
H            3.80918341609289       -2.84234729868813        3.45828429086380
H           -3.62024168272091       -1.31979683128694        3.02936601174038
H           -2.06631715500997       -1.32098536024705        3.90743066921170
H           -1.34177704049469        0.64840545139665        2.55996525088238
H           -2.86468765427811        0.96274571554139        3.38536697293884
H           -2.96994049934094        1.70786777364521        1.00657430073648
H           -4.11469321391239        0.39255653836772        1.31157826829675
H           -1.33145556473157        0.05803482260142        0.11485788009241
H           -2.84552646350937       -0.01267993080423       -0.78179226977804
H           -2.03436683897580       -2.26749872524747       -0.26134694599466
H           -3.60939063203362       -1.92980328871642        0.45067202278350
H           -8.89823596943367       -5.71186818846183        5.06611153672511
H           -7.86742349838831       -6.77505174487508        4.11357530310515
H           -7.08260995955243       -5.21043475880834        6.60205780107735
H           -5.91273313082446       -5.98296840911677        5.52266802973562
H           -6.38164604352256       -7.44287821178814        7.42266945654098
H           -7.05056373930334       -8.19305512964914        5.97101784602514
H           -9.32020404471172       -7.42865343793134        6.58452825760607
H           -8.65943166243186       -6.52911863892933        7.97448472185083
H           -6.74234804293651       -3.37950332323623        5.33622495259315
H           -8.50364171958722       -3.40727686770972        5.19930262205451
H           -7.63293235329062       -1.22611433873661        4.47398414241329
H           -6.63838167930336       -2.02378181051776        3.22894519360771
H           -8.64744031778820       -1.14539200166749        2.19734968360937
H           -9.67423917422359       -2.04266246583465        3.32903962256391
H           -7.68783423376396       -3.23718881166694        1.34587195950569
H           -9.44983815575592       -3.29469244667212        1.19722837251834
H           -8.73737878104543       -5.43403440251149        2.14082332667595
H           -9.59503256535114       -4.50856366120132        3.35327821976236
H           -4.65143851373982       -4.61596874019546        6.96203830121091
H           -4.10157550301475       -6.26901098192340        7.21312196648133
H           -2.64111081723281       -5.50072051139608        9.08415783968948
H           -3.24312772871412       -3.85514746415510        8.86549332748150
H           -4.95647159607455       -6.30218826613431        9.48755636374147
H           -5.54979501456817       -4.64432209395628        9.34697086566524
H           -4.06485428362535       -3.98665846478780       11.27700001725773
H           -5.28066262272493       -5.21674511583989       11.71466363807972
H           -1.68125884259436       -6.96215821764081        6.45321602184817
H           -1.23793691280757       -5.79343998325481        7.66211016918283
H           -0.51199141286062       -5.31304298569961        4.77069592579534
H            0.54033064615737       -6.24625094117404        5.83567293136396
H            1.05534132715856       -4.38544846206378        7.17023958657966
H            0.79758110476395       -3.59807405248739        5.61836452152974
H           -0.56679552991308       -2.28538186038038        6.98867717971806
H           -0.95782524411396       -3.61529029136819        8.06308163344459
H           -2.88495959219700       -2.90347442393244        6.74271668483418
H           -2.01577177136787       -3.24546082600502        5.22197785312264
N           -4.57623795497692       -2.27841970882075        4.99985536096542
H           -5.33076752586564       -1.66763308191962        4.70192430027163
H           -3.75630823839798       -1.70340342184621        5.16448441305998
H           -4.84266072897399       -2.69508435469120        5.88731966061486
N           -4.93549807005986       -3.19504630867046        2.09602506543233
N           -5.43830721065855       -2.71152731244266        1.20560348575545
116
 energy: -148.611733328361 gnorm: 0.003320060254 xtb: 6.5.1 (b24c23e)
N           -2.46118330348412       -3.44675717335633        2.31458779117510
C           -2.19234010362220       -4.42481545331624        1.28492618021439
C           -2.49186561872516       -5.83385237576131        1.77505778262138
N           -3.82629831695885       -5.88225277134910        2.36186537340032
C           -4.87795734600289       -5.97026534223140        1.36750243615783
C           -6.24223203408045       -5.69084962612621        2.01606840195005
N           -6.17574180090853       -4.86374885820489        3.20654439929351
Mo          -4.14356560773272       -4.10815141704691        3.47170127178620
N           -3.25273404033092       -5.26481301185239        4.89509322164992
C           -3.14249198677562       -6.66672603059952        4.55506569879880
C           -3.94599823371848       -6.98595526354675        3.30368562796011
H           -3.52259106387060       -7.31671948864423        5.36447680207340
H           -2.09339226606317       -6.96659772828354        4.38330975477826
H           -4.99815437090054       -7.07683072983094        3.57410467850015
H           -3.60932655150968       -7.93164117064650        2.84932365121834
H           -6.85469785629674       -5.21984026023231        1.23122605858378
H           -6.72858719047370       -6.65671770033030        2.25152208061619
H           -4.68574234024773       -5.21636031217228        0.60139769668956
H           -4.88639859778216       -6.96097952137295        0.88228704353400
H           -1.13928788335067       -4.39892090878103        0.96624747145757
H           -2.80080716880066       -4.23212176851998        0.38092030683140
H           -1.77036451001336       -6.08088431338360        2.55553776920644
H           -2.39238434424381       -6.56167930801791        0.95494585930929
C           -2.00367336436747       -2.11481618067906        1.90607530467176
C           -0.45158178115771       -2.03528579770000        1.81804117488364
C            0.34872113039997       -2.63794770580858        2.96661661594089
C            1.84127857742270       -2.46292076201873        2.67675040538234
C            2.76275683386347       -3.08323213292299        3.71175174228785
Cl           2.61349545916136       -4.86280229291704        3.72063679562033
C           -2.52844637465200       -1.10713253926643        2.94137363282805
C           -2.33952787582318        0.36711101820246        2.59171458095463
C           -2.98606373163856        0.66806664379029        1.24706991759123
C           -2.34436604726849       -0.20879586101868        0.18141177833459
C           -2.53378888653268       -1.68911524912828        0.50549235909622
C           -7.49926672620859       -4.67289859783848        3.79037228300226
C           -7.86059629447746       -5.88727334812368        4.71118616063752
C           -6.91573443558741       -6.06277976848514        5.89261445221372
C           -7.12390580240201       -7.37887470244044        6.64417295994107
C           -8.48527065806034       -7.42230630237441        7.31999838424987
Cl          -8.63853052690158       -8.87696411401084        8.34627146679699
C           -7.58007282215189       -3.39716561996606        4.65088472263857
C           -7.60188234979601       -2.10236433096645        3.83823181147743
C           -8.76083721779650       -2.07427356819753        2.84909796529131
C           -8.65891003811881       -3.29305642448128        1.94261523138032
C           -8.68349896220963       -4.56251286581823        2.78692762984429
C           -2.67693184751660       -4.99730317961739        6.22658376644946
C           -3.80632437202916       -5.21349371724400        7.26987701090243
C           -3.50468164971343       -4.88820090409304        8.73071696905195
C           -4.69873666670819       -5.23465556226732        9.62017643176502
C           -4.41416418770694       -4.99324723379659       11.09304569421758
Cl          -3.11442985267751       -6.06898871582702       11.68189814535569
C           -1.47009306847341       -5.89492585156013        6.59412398955366
C           -0.24220870160005       -5.45471117887122        5.80602035697275
C            0.29374474807224       -4.15405369138976        6.40480914830915
C           -0.84637980703431       -3.32890444340559        7.00530691288874
C           -2.16236821740589       -3.53736367387158        6.25555886720640
H           -0.13195112985475       -2.51948416173695        0.89283596253304
H           -0.17851553557677       -0.98421384816301        1.73060891345884
H            0.10806428212663       -3.69533570159525        3.07005315325639
H            0.09705259735371       -2.13797590998191        3.90285224045072
H            2.07082768486645       -2.89517695038313        1.70036283938140
H            2.07420521498605       -1.39503941944211        2.62903835431975
H            2.52910499018747       -2.74017209784478        4.71969199400974
H            3.80706718968897       -2.86450585807350        3.48775005675409
H           -3.60206736212426       -1.29103464922004        3.01408683396639
H           -2.05378239173711       -1.32225633972320        3.90149454097062
H           -1.28013675918484        0.63045360578096        2.55644673804182
H           -2.79954773161017        0.97744987337203        3.37430609416342
H           -2.87048297295124        1.72533616650752        0.99304405323548
H           -4.05458427264808        0.44488391340088        1.29996928767708
H           -1.28392202180803        0.03449725289167        0.09892326224279
H           -2.80128269233731       -0.00616379171763       -0.78873431286161
H           -2.03232899110414       -2.27479250914643       -0.26691274407570
H           -3.59942302594736       -1.90665773500179        0.44954441438998
H           -8.88238411212958       -5.75334390228145        5.07303856108735
H           -7.84594255271598       -6.79604362567214        4.10431466382175
H           -7.05656927264907       -5.24314010138140        6.59974874510329
H           -5.89279181773262       -6.01402801303937        5.51375176789549
H           -6.35102289116227       -7.47934115254470        7.40941728551494
H           -7.03083672377568       -8.22447752052296        5.96027228144503
H           -9.29583868851763       -7.47067325245474        6.59454871643901
H           -8.62733662547271       -6.56236477626946        7.97524595494159
H           -6.74106217429277       -3.39485116408735        5.34621647528721
H           -8.50347074461218       -3.44817980436176        5.23598501620049
H           -7.67606851243088       -1.24771549912881        4.51878751470171
H           -6.68385282284196       -2.02068620956567        3.25712926003248
H           -8.70903083001954       -1.16061358666077        2.25303046716847
H           -9.71675889786142       -2.07892612476327        3.37987164922425
H           -7.73150455573875       -3.22734738637672        1.37158128196590
H           -9.49305389289790       -3.30964088931310        1.23701045441079
H           -8.74023101100811       -5.44562014054753        2.15134362927604
H           -9.60234303768933       -4.54652820818370        3.38011827018365
H           -4.66612373937549       -4.61727901201008        6.94780168311828
H           -4.10213497258704       -6.26395320020941        7.21431300632081
H           -2.64974329107126       -5.46693937301732        9.07903354147241
H           -3.26701122955229       -3.82872781323628        8.84712483110751
H           -4.96779715867852       -6.28272467939810        9.47546743607896
H           -5.56265818251452       -4.62499580787175        9.34136830085118
H           -4.07574528672788       -3.97252251039330       11.27161881301652
H           -5.28924948700106       -5.20599560066414       11.70635012575497
H           -1.68715053561171       -6.94952650086961        6.44181682811584
H           -1.24923121131299       -5.78211110226293        7.65449063918506
H           -0.52540971247347       -5.28693120363003        4.76561406359401
H            0.53162526741027       -6.22396043873378        5.82290221581909
H            1.03071087305112       -4.37339336157136        7.18052729753458
H            0.79353711153182       -3.58076366910949        5.62838631503835
H           -0.58874035938113       -2.26627421227226        6.97337232436510
H           -0.98039803347185       -3.58904781922815        8.05639805584249
H           -2.90538328819394       -2.89445772857822        6.72890590952423
H           -2.03229412715512       -3.23615529937497        5.21089443329777
N           -4.58324037862818       -2.25518102355703        4.98426078365985
H           -5.34303663618707       -1.65531767544623        4.67479230780508
H           -3.76899856045972       -1.67024185198426        5.14552051267833
H           -4.85188385186206       -2.66350848689641        5.87508543234720
N           -4.94456379516201       -3.16982849159689        2.10150405208228
N           -5.45522116037947       -2.65918315313132        1.22996889924082
116
 energy: -148.612232035758 gnorm: 0.007257219500 xtb: 6.5.1 (b24c23e)
N           -2.46410842095505       -3.43954828808248        2.30723809959715
C           -2.18945877687264       -4.42248135042937        1.28285108762016
C           -2.49869761576129       -5.82828289642098        1.77397012211398
N           -3.83513382082656       -5.86971443128112        2.35578309517058
C           -4.88402780937029       -5.95215113281341        1.35827391714859
C           -6.24816348103581       -5.67153632531095        2.00636172141560
N           -6.17907765548285       -4.85369712175727        3.20400494097270
Mo          -4.14891884183204       -4.09386286709687        3.46352533674161
N           -3.26388285216247       -5.25553023573471        4.88884135737899
C           -3.15900270840312       -6.65752039116146        4.54966550464018
C           -3.96088363961461       -6.97399692017141        3.29611571475603
H           -3.54276646975982       -7.30682981369770        5.35844274134375
H           -2.11044184713324       -6.96234249212043        4.38003496143934
H           -5.01373219992445       -7.06271621777154        3.56375062800932
H           -3.62539007233581       -7.91991735269835        2.84141203038966
H           -6.85877516042587       -5.19114564426918        1.22509867815800
H           -6.73833798082347       -6.63720567147235        2.23399307730412
H           -4.68803851961850       -5.19675775334677        0.59522411502633
H           -4.89399119896611       -6.94136686353452        0.87070499958927
H           -1.13205396859182       -4.40320013736285        0.97597167402563
H           -2.78614472006740       -4.23032534537259        0.36914457413679
H           -1.78159652468019       -6.07654573167123        2.55833008467885
H           -2.39895971979187       -6.55885421747780        0.95609546018514
C           -1.99181265819574       -2.11293565002216        1.89929494109157
C           -0.43845640948241       -2.05005288977754        1.81162151677770
C            0.35419520824759       -2.65792871388901        2.96256406980486
C            1.84832306775607       -2.48507518004281        2.68120373616040
C            2.76332681298878       -3.10431743796146        3.72203699656073
Cl           2.61114640608671       -4.88371840409951        3.73481816334550
C           -2.50519472791318       -1.09729389722627        2.93268715032251
C           -2.28700816459258        0.37288519409088        2.58393104861133
C           -2.92155759426406        0.68787396049670        1.23660757722663
C           -2.30225937906074       -0.20574994299401        0.17098889340767
C           -2.51841115658384       -1.68135099026208        0.49924799172046
C           -7.50095847559502       -4.68497943981165        3.79993909468956
C           -7.84526755933852       -5.91223067413340        4.71057094939892
C           -6.89608417437654       -6.09167156089445        5.88721242322215
C           -7.09918194689970       -7.41181754858433        6.63392302977226
C           -8.45361996410709       -7.46037484258686        7.32308945952477
Cl          -8.58739763875634       -8.91377696842038        8.35514851016776
C           -7.58676086240526       -3.41782711812150        4.67246420056675
C           -7.63889985938037       -2.11741831597887        3.86951053947112
C           -8.81034169945458       -2.09560525743009        2.89348419311919
C           -8.69340413280018       -3.30283424865596        1.97277929521231
C           -8.69340033432357       -4.58031352384156        2.80522044997699
C           -2.68944016158300       -4.98818138221152        6.22023178801005
C           -3.81778487787765       -5.20576169900806        7.26460551487826
C           -3.51953249198464       -4.86705872560901        8.72292149558039
C           -4.71139721774317       -5.21681037711649        9.61413203230280
C           -4.42490980693077       -4.97690928319186       11.08680674912045
Cl          -3.12397556338653       -6.05310953778423       11.67272331863852
C           -1.48203893269555       -5.88492315368414        6.58790363161569
C           -0.25384161072601       -5.43984529108889        5.80343615733918
C            0.27904605973935       -4.14215828464496        6.41049268901404
C           -0.86473356164550       -3.31520883283382        7.00206859529877
C           -2.17800079504129       -3.52753499977437        6.24895782596639
H           -0.12276419456764       -2.53862360372647        0.88733672226711
H           -0.15390817862246       -1.00232660654606        1.72264915447804
H            0.11169495815774       -3.71511405562073        3.06231644096366
H            0.09794291359454       -2.16037919784659        3.89836868496845
H            2.08293715972815       -2.91896235088905        1.70696795103588
H            2.08257253270768       -1.41746606850398        2.63304037628021
H            2.52534467886065       -2.75863498928871        4.72762181095953
H            3.80870958178196       -2.88795167935632        3.50286083341622
H           -3.58216356798108       -1.26259378672337        3.00010698826861
H           -2.03923137625250       -1.32001007992852        3.89526612263441
H           -1.22274347977368        0.61581870687122        2.55411862559504
H           -2.73825996760391        0.99182793887660        3.36490332401455
H           -2.77628429025478        1.74097999793890        0.98115794152013
H           -3.99624335263115        0.49506148074331        1.28826727946969
H           -1.23643897734280        0.01500103980967        0.08642336290965
H           -2.75723230747764        0.00460837991721       -0.79934374660689
H           -2.02857396822035       -2.27562190994237       -0.27301628360411
H           -3.58705179608238       -1.88222172274812        0.44754161641965
H           -8.86700109572835       -5.79223757929758        5.07723326713286
H           -7.82501242683021       -6.81475847022168        4.09449192207147
H           -7.03475566147762       -5.27494408801207        6.59823148932743
H           -5.87445149689224       -6.04061423208553        5.50585706638816
H           -6.31917429287331       -7.51669966706136        7.39155147823000
H           -7.01217749197018       -8.25382098141565        5.94457959110520
H           -9.27195452140645       -7.51599186211534        6.60683348536667
H           -8.59420192500985       -6.60011468196199        7.97805739904913
H           -6.73367704536226       -3.40873132810106        5.35168609493969
H           -8.49861521442591       -3.48737516651050        5.27416899540422
H           -7.71595914122559       -1.26898985583907        4.55761947457407
H           -6.72808376975789       -2.01925265411708        3.27715607812535
H           -8.78307159946364       -1.17108630849858        2.30748873769030
H           -9.76239762096670       -2.12639848887043        3.43712618717435
H           -7.77057219884244       -3.21576075715745        1.39628677370617
H           -9.53203902799911       -3.32669985654288        1.27273418262379
H           -8.74290224000955       -5.45806607859160        2.16205815940239
H           -9.60777014373498       -4.58232316327040        3.40544551210743
H           -4.68166478123235       -4.61875886766123        6.93693900527520
H           -4.10440043828908       -6.25910840482080        7.21727856657143
H           -2.65982994068096       -5.43596684692123        9.07584497336919
H           -3.29089118628696       -3.80486917834043        8.83177144073604
H           -4.97910369987390       -6.26513880334654        9.46860721970701
H           -5.57683446759054       -4.60825506477646        9.33748652336424
H           -4.08652483337423       -3.95638175080667       11.26625692419714
H           -5.29910379073605       -5.19075132104749       11.70100694831199
H           -1.69701247971881       -6.93934754631844        6.43147692387682
H           -1.26393490780561       -5.77532411697059        7.64929338404559
H           -0.53661438407853       -5.26735053912114        4.76373604814890
H            0.52123251707938       -6.20771788349934        5.81720597171100
H            1.00707445137855       -4.36630750950995        7.19315555337671
H            0.78893021241004       -3.56822066099733        5.64122004031888
H           -0.60800328819502       -2.25268234731576        6.96572551310409
H           -1.00269459791989       -3.57032907918507        8.05376696675041
H           -2.92431035960912       -2.88602278464495        6.71891766554302
H           -2.04684700997808       -3.22682595211642        5.20417036012135
N           -4.59100266813748       -2.22932506578310        4.96836833782932
H           -5.35060506983850       -1.63483506164098        4.65220569086623
H           -3.77873232235548       -1.64138396667016        5.12352399945524
H           -4.85990322808907       -2.62825269140694        5.86301472855976
N           -4.95319742992018       -3.14747924137366        2.10171822899289
N           -5.46765943444765       -2.62274609093668        1.24377144661073
116
 energy: -148.612378271115 gnorm: 0.002041912423 xtb: 6.5.1 (b24c23e)
N           -2.46343666430256       -3.43911424861457        2.30865832234587
C           -2.19035995795653       -4.42167622641886        1.28367344936603
C           -2.49895067837888       -5.82770532431501        1.77483230328383
N           -3.83582544142642       -5.86908762050765        2.35588731946066
C           -4.88394622690320       -5.95172907528040        1.35709748117480
C           -6.24858766776205       -5.66935654210192        2.00373834963465
N           -6.17942724798849       -4.85295836275042        3.20204339335895
Mo          -4.14963545248040       -4.09239644756255        3.46313453961339
N           -3.26630729363475       -5.25397451483643        4.88935405401134
C           -3.16179512827738       -6.65652379117241        4.55047940304898
C           -3.96293878379322       -6.97302353926094        3.29663873858096
H           -3.54625393882719       -7.30504061826827        5.35932933164897
H           -2.11335454698345       -6.96134948385029        4.38151384239439
H           -5.01619064574676       -7.06034199401068        3.56324033122798
H           -3.62794710489025       -7.91940885093607        2.84284847495575
H           -6.85764551656340       -5.18697565193904        1.22302157459898
H           -6.74033874872253       -6.63423155738720        2.22976983732963
H           -4.68612653674474       -5.19706126173526        0.59329877212296
H           -4.89408561445824       -6.94151838931697        0.87049975217010
H           -1.13425875983248       -4.40236834855856        0.97448868254813
H           -2.78907890762686       -4.22912786303523        0.37230562490724
H           -1.78211598065380       -6.07566511353367        2.55963190457901
H           -2.39869572104927       -6.55837631754480        0.95702628858799
C           -1.99106501359584       -2.11251402137321        1.90006344076026
C           -0.43833171663584       -2.05139525965662        1.81021040268561
C            0.35535108891442       -2.65711569644009        2.96208926553080
C            1.84957520881023       -2.48673959330760        2.67780698785840
C            2.76593035528605       -3.10690038977367        3.71751349361171
Cl           2.61028476332564       -4.88579118450980        3.73237479700890
C           -2.50342246867151       -1.09644153835803        2.93312290848288
C           -2.28334550116692        0.37309929963618        2.58403795027532
C           -2.91747547747571        0.68925547667539        1.23691211675854
C           -2.30146678024638       -0.20583922145314        0.17136775351978
C           -2.52149273416794       -1.68075281767816        0.50097826147318
C           -7.50026183523134       -4.68566641585595        3.79912961894980
C           -7.84271814973428       -5.91382886367472        4.70834166364626
C           -6.89398751658339       -6.09309791278615        5.88531171942313
C           -7.09472848508944       -7.41464015156355        6.62977691362139
C           -8.44775834097174       -7.46535251712266        7.32139812230892
Cl          -8.57806388796543       -8.91961657088152        8.35190939362687
C           -7.58458799815582       -3.41894776751329        4.67194985542331
C           -7.63911177773552       -2.11818859540948        3.87040464075076
C           -8.81323289155832       -2.09933187723284        2.89941512532350
C           -8.69511096872793       -3.30251059596470        1.97490862012650
C           -8.69326089205368       -4.58074204647238        2.80568037100482
C           -2.69194511939457       -4.98695510707755        6.22114067775359
C           -3.82046641230874       -5.20340335140153        7.26571042524193
C           -3.52210409841328       -4.86529348725456        8.72398427552175
C           -4.71373086260736       -5.21519709261869        9.61545358291706
C           -4.42757903456534       -4.97316949591013       11.08807054805786
Cl          -3.12731542451691       -6.04917100020390       11.67581017217172
C           -1.48526802244502       -5.88483290818732        6.58935288458297
C           -0.25586396750817       -5.44066729122299        5.80632110824289
C            0.27726708376025       -4.14295443585958        6.41323019190578
C           -0.86655075760474       -3.31596309381294        7.00490171813135
C           -2.17905787972676       -3.52670371921047        6.25011024287790
H           -0.12468447031263       -2.54273732461689        0.88644100300399
H           -0.15266736100834       -1.00402226406695        1.71788567614018
H            0.11139042846491       -3.71407985207964        3.06501890504045
H            0.10149555103381       -2.15677260838696        3.89751396540654
H            2.08170050761434       -2.92152907289467        1.70303996784322
H            2.08553199777498       -1.41950049382196        2.62888701391848
H            2.53103599937683       -2.75988067065799        4.72373961087503
H            3.81148517416034       -2.89268355563619        3.49533242552275
H           -3.58036275017565       -1.26059024198880        2.99974844694971
H           -2.03812144926280       -1.31919581218102        3.89602951957225
H           -1.21896415091385        0.61424774622005        2.55448217386055
H           -2.73373066652491        0.99278514457962        3.36475590601079
H           -2.76981941867237        1.74132742675658        0.98198238556107
H           -3.99191212559209        0.49883925288071        1.28801811264896
H           -1.23530935029011        0.01274995933964        0.08299873275174
H           -2.75873865651607        0.00431751726736       -0.79822510831131
H           -2.03584065846802       -2.27700980416017       -0.27337800768875
H           -3.59164774303936       -1.87870955118560        0.45413687218491
H           -8.86439634661698       -5.79660880569189        5.07455735534872
H           -7.81995283315192       -6.81512965084485        4.09145566367859
H           -7.03457346816614       -5.27792528371736        6.59761933154031
H           -5.87252129991327       -6.03902202662246        5.50436857343401
H           -6.31349530241480       -7.52028904334929        7.38584291478995
H           -7.00843806440509       -8.25546021828859        5.93901069953999
H           -9.26725316634033       -7.52062596587067        6.60665305013752
H           -8.58781592232289       -6.60577160970767        7.97756628084222
H           -6.73049438299503       -3.40909007986381        5.34879862718715
H           -8.49398374693509       -3.48892112348110        5.27592468139358
H           -7.71424235804252       -1.27016189206393        4.55914547376789
H           -6.73150051523661       -2.01902655240334        3.27493778646415
H           -8.79361196411858       -1.17463154237348        2.31781287944028
H           -9.76061515827531       -2.13633677661437        3.44551646368814
H           -7.77221182839259       -3.21178780723673        1.40023532084940
H           -9.53304502176741       -3.32666345593354        1.27396906332820
H           -8.74334076784458       -5.45806778007844        2.16178154540082
H           -9.60693345987260       -4.58340563740351        3.40675655092616
H           -4.68358341092287       -4.61554151184823        6.93832569022323
H           -4.10807353004307       -6.25626116867671        7.21833967185682
H           -2.66242246141860       -5.43415412216434        9.07664871089287
H           -3.29354049071108       -3.80324543533217        8.83325595531698
H           -4.98047072640909       -6.26396957974453        9.47119949362333
H           -5.57967718392762       -4.60773121129379        9.33793802047085
H           -4.08888928544339       -3.95238625017813       11.26602897126574
H           -5.30220467789779       -5.18553628663506       11.70246672545201
H           -1.70108848014874       -6.93905504465570        6.43242724209459
H           -1.26805071565062       -5.77597852978700        7.65101376067741
H           -0.53715905851506       -5.26853599489234        4.76610201267938
H            0.51873302476023       -6.20915775365716        5.82144214397722
H            1.00522650709297       -4.36710959170610        7.19594323793222
H            0.78738677463332       -3.56908887321560        5.64397212443994
H           -0.60892308526861       -2.25343163865674        6.97066258804130
H           -1.00553872291813       -3.57266162090262        8.05614447573207
H           -2.92544351796366       -2.88431306720468        6.71887147254110
H           -2.04631362556237       -3.22620383547501        5.20547233780459
N           -4.59062634174533       -2.22685520169320        4.96577539915786
H           -5.34946723052944       -1.63109276751114        4.64796058330597
H           -3.77708662758026       -1.63987535228441        5.12052640240961
H           -4.86067518417464       -2.62368154669056        5.86105736523023
N           -4.95146235342366       -3.14675920039701        2.09921052835420
N           -5.46322865731133       -2.62302329280103        1.23666771295575
116
 energy: -148.612619261223 gnorm: 0.005980389629 xtb: 6.5.1 (b24c23e)
N           -2.46276769288574       -3.43782864172679        2.31139607187798
C           -2.19323389755745       -4.42012861604412        1.28537162563939
C           -2.49980411864742       -5.82632780004935        1.77773635105947
N           -3.83805671936209       -5.86746232092622        2.35593564892232
C           -4.88350603990952       -5.95071095849710        1.35343190289395
C           -6.24945083141489       -5.66285021183204        1.99532198306278
N           -6.17959865721199       -4.85155882426921        3.19643390394191
Mo          -4.15175393434471       -4.08940820734311        3.46191452888908
N           -3.27385374870540       -5.24953682286289        4.89188960813267
C           -3.17060443706355       -6.65331819048409        4.55327385901005
C           -3.96942995819752       -6.96984266732466        3.29827194077773
H           -3.55725436671873       -7.29996176427842        5.36206660068314
H           -2.12242706379137       -6.95836240962622        4.38622195704210
H           -5.02380681002955       -7.05348740119909        3.56180796217321
H           -3.63568857603013       -7.91764348651658        2.84710897785388
H           -6.85314226728268       -5.17362026743032        1.21541576858403
H           -6.74658411506767       -6.62562039172862        2.21590488474566
H           -4.68090936268447       -5.19855586476740        0.58765126381344
H           -4.89402742999690       -6.94206892426057        0.86992476723694
H           -1.13980163974726       -4.40087937684422        0.97092060211119
H           -2.79730216068138       -4.22721621730213        0.37926346443805
H           -1.78409390978927       -6.07265303645452        2.56426082106838
H           -2.39734688645284       -6.55765908332077        0.96069446248034
C           -1.98911283411988       -2.11145370946875        1.90128969107003
C           -0.43786664599905       -2.05479398859093        1.80564075207038
C            0.35872083493277       -2.65413651175790        2.95971403671366
C            1.85288739951567       -2.49173378349648        2.66749170529680
C            2.77224559622964       -3.11480847209060        3.70384332175417
Cl           2.60623563914321       -4.89223409415285        3.72534590637215
C           -2.49798165694802       -1.09380373935396        2.93366668450710
C           -2.27121840656027        0.37421706664008        2.58394100788737
C           -2.90415350140533        0.69445514369379        1.23718734136481
C           -2.29820931040633       -0.20522607930952        0.17074514901673
C           -2.52646196236887       -1.67800527016894        0.50445911168744
C           -7.49780493286237       -4.68801405820687        3.79691239709899
C           -7.83557148066830       -5.91919366224230        4.70207032729027
C           -6.88721825049657       -6.09716725634368        5.87956248382763
C           -7.08029223982251       -7.42335485791927        6.61707848651657
C           -8.42922900123188       -7.48119063988202        7.31619175939114
Cl          -8.54903202902046       -8.93891339155697        8.34138526635516
C           -7.57761644834795       -3.42361990413887        4.67272940057014
C           -7.63996450039947       -2.12232149217225        3.87310743979799
C           -8.82408126762712       -2.10690063260293        2.91670574200677
C           -8.69945377359987       -3.30073003512316        1.98251290505221
C           -8.69302658426631       -4.58251421417236        2.80711022411466
C           -2.69949508053635       -4.98334629919057        6.22446315002290
C           -3.82897550249544       -5.19624956524494        7.26915996821966
C           -3.53010176828030       -4.85953899354277        8.72749747020884
C           -4.72128319849611       -5.20994432573677        9.61944527875757
C           -4.43615382989331       -4.96148690867405       11.09159788367750
Cl          -3.13769671841466       -6.03638923706890       11.68508767471638
C           -1.49509044979775       -5.88447409009273        6.59411529359498
C           -0.26223404467742       -5.44317205265332        5.81498440529978
C            0.27177110106656       -4.14532023733339        6.42128952538878
C           -0.87211792329903       -3.31832951766479        7.01321146280677
C           -2.18243910931519       -3.52433583692890        6.25357269402865
H           -0.12929425467008       -2.55443141594352        0.88417437166404
H           -0.14867008079409       -1.00885268141286        1.70348421246188
H            0.11052914535930       -3.70982213672240        3.07250155390100
H            0.11157104570975       -2.14514120951990        3.89303887822309
H            2.07785342524412       -2.92964616053391        1.69192932879887
H            2.09413150696670       -1.42577638238924        2.61568946739885
H            2.54619077319978       -2.76319946214120        4.71113062886696
H            3.81798884635602       -2.90705938785543        3.47343476878717
H           -3.57527014723403       -1.25392560032216        2.99781330244871
H           -2.03486049892804       -1.31745136490745        3.89752914526375
H           -1.20603753095212        0.60978395641351        2.55457727671075
H           -2.71860618861791        0.99627395233871        3.36434508242123
H           -2.74879765678318        1.74445756203076        0.98337895249839
H           -3.97888842343354        0.51165994979686        1.28849350788105
H           -1.23120709150747        0.00647925644917        0.07299567240326
H           -2.76122914270592        0.00465569114833       -0.79682279548187
H           -2.05325668631599       -2.28026017457517       -0.27444891773605
H           -3.59968445752695       -1.86663181281596        0.46885960849155
H           -8.85775093560265       -5.80973483001105        5.06711359465094
H           -7.80557638201365       -6.81753344762601        4.08247782811611
H           -7.03398998715837       -5.28650453257825        6.59567125179692
H           -5.86603422831555       -6.03388971279134        5.49983500307504
H           -6.29488166967469       -7.53163828761531        7.36818104734822
H           -6.99605039641692       -8.26016292101822        5.92129368968617
H           -9.25246263506336       -7.53527791575559        6.60590101170462
H           -8.56780513858905       -6.62405345883369        7.97627805264973
H           -6.71894583388887       -3.41365393735578        5.34235955489825
H           -8.48129201543292       -3.49497976385842        5.28311213883071
H           -7.70896762602643       -1.27536667461308        4.56376931876227
H           -6.73963475772448       -2.02127984491579        3.26889692104487
H           -8.82468365952149       -1.17926260983247        2.34543262771089
H           -9.76080063986670       -2.16328112242631        3.47234744547685
H           -7.77612357142652       -3.20112045695443        1.41150318524810
H           -9.53554849932947       -3.32519220361419        1.27942682965353
H           -8.74382130772014       -5.45822116756235        2.16065712762777
H           -9.60504367394640       -4.58816314414200        3.41045473226195
H           -4.68985140681919       -4.60551645695784        6.94213138673268
H           -4.11969905297757       -6.24790367963928        7.22160975457571
H           -2.67052054097485       -5.42846612178119        9.07975968407917
H           -3.30175645310091       -3.79770343870110        8.83782447503270
H           -4.98490294292414       -6.26009524099701        9.47923462298691
H           -5.58888122252680       -4.60599051905249        9.33931260397726
H           -4.09660831452927       -3.94005959542104       11.26508422231793
H           -5.31182788446233       -5.16967262941146       11.70642128686860
H           -1.71328529253095       -6.93804322828225        6.43568290391406
H           -1.28038005830491       -5.77777252731194        7.65650794645428
H           -0.53916095978357       -5.27249935647583        4.77324330711494
H            0.51076796386176       -6.21347095569681        5.83431696953510
H            0.99961383041692       -4.36931576795122        7.20416108798615
H            0.78241702452165       -3.57169676211670        5.65182354208887
H           -0.61199318651043       -2.25598564738998        6.98489219446237
H           -1.01437486215612       -3.57954319818709        8.06301799631099
H           -2.92899660637619       -2.87918358942948        6.71861342535372
H           -2.04459353469190       -3.22489992894246        5.20929238837872
N           -4.58913839913220       -2.21968900764435        4.95854641609442
H           -5.34470605375659       -1.62097576368870        4.63503824558691
H           -3.77256414539161       -1.63549174233565        5.11184266081591
H           -4.86331915906181       -2.60883457673985        5.85605858315613
N           -4.95029488885326       -3.14566340109959        2.09513947497774
N           -5.46088886554845       -2.62599000063787        1.22740802274017
116
 energy: -148.612830197295 gnorm: 0.007339807458 xtb: 6.5.1 (b24c23e)
N           -2.46270025955969       -3.43575066946050        2.31286502294937
C           -2.19621320404176       -4.41902505428531        1.28680070983768
C           -2.50099708422140       -5.82465388145470        1.78192594808044
N           -3.84083075549385       -5.86500811083555        2.35643476926873
C           -4.88251890017358       -5.94954172019644        1.34951748703001
C           -6.24993373714151       -5.65492486499174        1.98524809577705
N           -6.17898847736048       -4.85006969414459        3.19023170888095
Mo          -4.15399951784685       -4.08501468669138        3.46109112354278
N           -3.28234984540750       -5.24487178443995        4.89481024560733
C           -3.18092380125503       -6.64972247681289        4.55674288023760
C           -3.97712546805180       -6.96582423432711        3.30012520601235
H           -3.57056813385036       -7.29468018992810        5.36515762726027
H           -2.13301129230835       -6.95572004084762        4.39200241077022
H           -5.03266604951072       -7.04588406234615        3.56023900264045
H           -3.64454634477902       -7.91521756319272        2.85167749063010
H           -6.84683024427894       -5.15681024362449        1.20564519203399
H           -6.75458687013975       -6.61514138144367        2.19873104294851
H           -4.67477378825452       -5.20101314683380        0.58138866879960
H           -4.89323346376713       -6.94275927747352        0.87001179139040
H           -1.14465970027149       -4.40023147648129        0.96787393861636
H           -2.80484479503748       -4.22687461265933        0.38428206607699
H           -1.78696689058665       -6.06806000701830        2.57095699713589
H           -2.39543261755260       -6.55761865562737        0.96670019117868
C           -1.98684872065430       -2.11012387238595        1.90108361625515
C           -0.43671606725037       -2.05861578678049        1.79956504644896
C            0.36260193100379       -2.65061409712289        2.95595584297166
C            1.85630283338195       -2.49848433341007        2.65486764496745
C            2.77761200273801       -3.12491590662716        3.68787962827718
Cl           2.59867770078400       -4.90062785949399        3.71717163538290
C           -2.49101688084589       -1.09048967298568        2.93327748345143
C           -2.25488749345065        0.37596831565235        2.58330082841036
C           -2.88677603246515        0.70152297806625        1.23705326484846
C           -2.29295177317030       -0.20422807554592        0.16905731732855
C           -2.53026613468551       -1.67458572046396        0.50695616103675
C           -7.49494962416219       -4.69134958967960        3.79458997307308
C           -7.82696366444260       -5.92689198662648        4.69511557485825
C           -6.87858820064794       -6.10271912924373        5.87291596764542
C           -7.06139243469804       -7.43478994515574        6.60207606114819
C           -8.40552361938755       -7.50187143407373        7.30998516406764
Cl          -8.51274566446069       -8.96500188796323        8.32769520947844
C           -7.57010187169821       -3.43006042967645        4.67503661983128
C           -7.64190163855105       -2.12650944532398        3.87952161791046
C           -8.83761731912637       -2.11429159628390        2.93795256917053
C           -8.70643853720316       -3.29794874440779        1.99165556158942
C           -8.69289201199158       -4.58455102324187        2.80849286623365
C           -2.70858718610548       -4.97925802397088        6.22824548082332
C           -3.83930003636357       -5.18751766616752        7.27301276271812
C           -3.54029177091301       -4.85194350145564        8.73168426405485
C           -4.73107310303563       -5.20276354197847        9.62414767730100
C           -4.44745144152992       -4.94661874515414       11.09550121054225
Cl          -3.15068078503205       -6.01948572391378       11.69602609681341
C           -1.50708206353367       -5.88385178255856        6.60005960950938
C           -0.27022705768966       -5.44604980500468        5.82523348756480
C            0.26474444585507       -4.14778480666082        6.43041924564600
C           -0.87906282151367       -3.32072873395737        7.02247568005230
C           -2.18683911065860       -3.52178342185535        6.25728412485106
H           -0.13319598670330       -2.56746370323358        0.88124767782436
H           -0.14381753821322       -1.01461674313363        1.68656680896269
H            0.10935372794320       -3.70412345902945        3.08027691843489
H            0.12295389622330       -2.13129072024236        3.88595297206461
H            2.07309546328072       -2.94056775360477        1.67913623179808
H            2.10424167878425       -1.43426520662480        2.59895883085642
H            2.56091187768606       -2.76771386228771        4.69552043268256
H            3.82344516193914       -2.92536143173955        3.44919772694450
H           -3.56920169178198       -1.24472482107101        2.99502851283732
H           -2.03050533024190       -1.31629517991351        3.89796459205488
H           -1.18824906846374        0.60418610856020        2.55358905784079
H           -2.69788210960109        1.00112329340343        3.36378045259099
H           -2.72130143348578        1.74976741480715        0.98351893510056
H           -3.96300385175673        0.52925246074102        1.29021198895642
H           -1.22518217348830       -0.00016240747920        0.06260705431452
H           -2.76135375617936        0.00649351793948       -0.79605491317722
H           -2.06929489768897       -2.28277104326992       -0.27501528483799
H           -3.60568104442915       -1.85349900367115        0.48077929450237
H           -8.85020017035257       -5.82606225097005        5.05909812072836
H           -7.78935384970132       -6.82256668944875        4.07232614238377
H           -7.03330486280262       -5.29738768962409        6.59343832196302
H           -5.85772744337988       -6.02788918738317        5.49447340847146
H           -6.27062702345170       -7.54621974618721        7.34707592973549
H           -6.97919004484363       -8.26623474828685        5.89954754692602
H           -9.23327940995909       -7.55446938336214        6.60479173338437
H           -8.54261739244298       -6.64837152121721        7.97535566963371
H           -6.70456864263640       -3.42149236773846        5.33554337795817
H           -8.46767480742221       -3.50425589837473        5.29358085731228
H           -7.70341471666301       -1.28095105459025        4.57281187768530
H           -6.74889641424297       -2.02358248124052        3.26507920002300
H           -8.86011987533115       -1.18085972019763        2.37760630865525
H           -9.76496670520267       -2.19262447307455        3.50563262157914
H           -7.78282998398889       -3.18848275268313        1.42319115945534
H           -9.54120277536119       -3.32233661293137        1.28701257577855
H           -8.74258163267834       -5.45734399922621        2.15793554408438
H           -9.60327053398158       -4.59620098853011        3.41427844589178
H           -4.69756276352273       -4.59324433690240        6.94587009825516
H           -4.13396354102239       -6.23794029335291        7.22550962906365
H           -2.68082237146135       -5.42096884731691        9.08392655542280
H           -3.31217735780874       -3.79016749530782        8.84279849026568
H           -4.99086456338436       -6.25452918542099        9.48875263829928
H           -5.60064589563247       -4.60316313321099        9.34077107138850
H           -4.10714424041998       -3.92449668743769       11.26375660202354
H           -5.32406995539831       -5.15038278831994       11.71064302741818
H           -1.72780307484937       -6.93666004484350        6.44000267167681
H           -1.29522004258550       -5.77932665531482        7.66322557099174
H           -0.54214732584969       -5.27751292783431        4.78177620269920
H            0.50080602395173       -6.21834542782444        5.84973705921951
H            0.99267318211016       -4.37129143406318        7.21337468780043
H            0.77569495593367       -3.57456084010352        5.66037468109531
H           -0.61634991055688       -2.25880423829945        7.00032220771066
H           -1.02518505438896       -3.58675674988375        8.07058752816056
H           -2.93354001459819       -2.87336927573993        6.71779370025144
H           -2.04290431231389       -3.22402558750501        5.21335750229928
N           -4.58786690565539       -2.21063646072655        4.95082265500447
H           -5.33892655834830       -1.60932706810941        4.62048945671927
H           -3.76818675176412       -1.62994740462769        5.10210300038564
H           -4.86708210544977       -2.59021656284665        5.85100059352137
N           -4.95049485708957       -3.14485521577338        2.09113343321083
N           -5.46614969688570       -2.63012312374461        1.22318340475718
116
 energy: -148.613051233789 gnorm: 0.005437475814 xtb: 6.5.1 (b24c23e)
N           -2.46267097773629       -3.43276005389038        2.31281550217789
C           -2.19859129543259       -4.41848480823651        1.28814463987093
C           -2.50183435413894       -5.82283966593351        1.78750062578904
N           -3.84362344616603       -5.86271281817307        2.35663745711943
C           -4.88078585982862       -5.94830023062597        1.34514081987649
C           -6.24977173263301       -5.64475546485998        1.97325962034589
N           -6.17820258798381       -4.84843899193699        3.18362303253221
Mo          -4.15581316416988       -4.08172547529274        3.45797366480380
N           -3.29220145575430       -5.23954142935505        4.89872997022751
C           -3.19328251906581       -6.64512479389414        4.56129859682574
C           -3.98585270593686       -6.96106040487376        3.30219666716967
H           -3.58697703399352       -7.28858994000201        5.36892361753414
H           -2.14563682639586       -6.95327898820211        4.39982239272722
H           -5.04267271494221       -7.03765119868381        3.55812313607343
H           -3.65418829356624       -7.91231161441342        2.85691473730044
H           -6.83776183930510       -5.13480074032968        1.19363611315208
H           -6.76491052088987       -6.60153488086192        2.17718461104608
H           -4.66707969640207       -5.20478559183348        0.57411067846895
H           -4.89203313077082       -6.94382125440008        0.87087021458434
H           -1.14801479584497       -4.40064285788616        0.96603043375779
H           -2.81011208100278       -4.22832472742882        0.38691477942821
H           -1.79036124736902       -6.06147438776889        2.58029037120517
H           -2.39175029482205       -6.55872431318260        0.97551785645461
C           -1.98419962293454       -2.10844780396921        1.89907029506486
C           -0.43474949452919       -2.06278237390585        1.79108874072139
C            0.36685602204714       -2.64668931874303        2.94994560358711
C            1.85973263789333       -2.50804332656556        2.63913201572868
C            2.78135496310525       -3.13833840151228        3.66930685773789
Cl           2.58593472210385       -4.91198644573549        3.70791056527930
C           -2.48162130927916       -1.08621497771604        2.93176783497823
C           -2.23271042490725        0.37842837183437        2.58195534561449
C           -2.86370622633929        0.71083139251262        1.23655611474402
C           -2.28527397519672       -0.20277856432352        0.16610150038670
C           -2.53254358447650       -1.67050197836217        0.50802516108574
C           -7.49235817311795       -4.69568122696557        3.79229402428301
C           -7.81703640902160       -5.93721930712786        4.68726990508769
C           -6.86785779045740       -6.11042194991981        5.86479039773168
C           -7.03647555088466       -7.45003862738984        6.58359344306802
C           -8.37446456887527       -7.52994559957999        7.30224335973076
Cl          -8.46591275430647       -9.00141131695405        8.30911254825014
C           -7.56228826237472       -3.43924179963546        4.68024015666312
C           -7.64607630209856       -2.13200139723394        3.89111440348913
C           -8.85453223950648       -2.12141746103836        2.96502142164019
C           -8.71736471560993       -3.29364824257151        2.00451217985261
C           -8.69361232507674       -4.58741605099912        2.81012418207198
C           -2.71966780155993       -4.97420590845449        6.23302116555072
C           -3.85222072428448       -5.17658015010754        7.27742051192953
C           -3.55347583417801       -4.84147854481224        8.73656441206156
C           -4.74404485463026       -5.19255255027949        9.62940583296059
C           -4.46268243349738       -4.92702796879537       11.09957513017125
Cl          -3.16719880992952       -5.99633542920389       11.70897039803549
C           -1.52183847017391       -5.88264671609495        6.60777957987202
C           -0.28038325081580       -5.44936076855496        5.83752769596663
C            0.25561654409915       -4.15018825647989        6.44062404039260
C           -0.88785634071283       -3.32273870583086        7.03252187902796
C           -2.19279017410830       -3.51857279059263        6.26122235544645
H           -0.13658428669922       -2.58169771297615        0.87671975099159
H           -0.13800204083520       -1.02132655210742        1.66635388788803
H            0.10723231370525       -3.69690838099035        3.08777021567811
H            0.13599601956280       -2.11503465082026        3.87522744650827
H            2.06708646449060       -2.95587612286852        1.66406178764668
H            2.11636898683409       -1.44619182870265        2.57730427664184
H            2.57411948038882       -2.77443888674593        4.67640448027616
H            3.82737395320927       -2.94949833305290        3.42289107878826
H           -3.56130811098276       -1.23198036665388        2.99116436489420
H           -2.02430306254244       -1.31592581842003        3.89707625204324
H           -1.16390309116015        0.59677641793135        2.55113529234748
H           -2.66912944892942        1.00764062252829        3.36306167286331
H           -2.68496875781837        1.75721325846690        0.98206630392105
H           -3.94256998937797        0.55326098449635        1.29339659057570
H           -1.21677532871346       -0.00774707320422        0.05158709088175
H           -2.75871493404580        0.01047078591787       -0.79593879790983
H           -2.08308038753760       -2.28410427061194       -0.27563663150961
H           -3.60920899358375       -1.83974178132398        0.48958054658262
H           -8.84176309803276       -5.84644267849838        5.05047269725180
H           -7.77140702772734       -6.83006968154972        4.06038338964107
H           -7.03255559818289       -5.31196107919013        6.59089867248953
H           -5.84758369919678       -6.02072404193093        5.48768757844958
H           -6.23881765073301       -7.56481994394524        7.32087428360142
H           -6.95603826279637       -8.27443649312177        5.87238785108106
H           -9.20778664810452       -7.58064783605072        6.60322169542833
H           -8.51012337096314       -6.68207398418287        7.97517748714841
H           -6.68748174557851       -3.43353344813164        5.32930434311415
H           -8.45278686234785       -3.51834068011705        5.30905401403543
H           -7.69970182078851       -1.28883643920729        4.58802414027556
H           -6.76067323538767       -2.02583046808320        3.26522040831930
H           -8.90001215246051       -1.17992436530083        2.41715082943736
H           -9.77330669939546       -2.22285081345180        3.54598917183083
H           -7.79471351085659       -3.17278416456077        1.43610907988620
H           -9.55231273382941       -3.31683239396247        1.30026924371230
H           -8.73968829034754       -5.45515681408711        2.15267542053727
H           -9.60227448713905       -4.60942768042074        3.41849414674151
H           -4.70742663949554       -4.57820100307883        6.94941763434465
H           -4.15166125268929       -6.22570216668231        7.23041393661777
H           -2.69410315380718       -5.41044872676758        9.08934956142263
H           -3.32570209963881       -3.77958262769902        8.84794769331693
H           -4.99917931774528       -6.24620218750722        9.49977812866061
H           -5.61592098523455       -4.59831090947458        9.34187446929917
H           -4.12211686597870       -3.90401068123809       11.26170785330227
H           -5.34018290456624       -5.12630999914612       11.71480855250104
H           -1.74533967406639       -6.93459418812882        6.44613667429031
H           -1.31312499479525       -5.78018310948979        7.67171999572276
H           -0.54666140305257       -5.28400119241377        4.79212254309076
H            0.48827255286849       -6.22382584210069        5.86845399891031
H            0.98406149200636       -4.37258411572843        7.22345307182526
H            0.76639156092246       -3.57776964893753        5.66932117537879
H           -0.62245680335761       -2.26151341400992        7.01639901853390
H           -1.03843657210875       -3.59352496560792        8.07872969365727
H           -2.93954601428941       -2.86629768663652        6.71625549651983
H           -2.04181196899254       -3.22341408345934        5.21754230102262
N           -4.58632617334560       -2.19971424004650        4.94167276123449
H           -5.33180297189273       -1.59629688518784        4.60334956932479
H           -3.76352532514444       -1.62318480380407        5.09074762764841
H           -4.87167705389663       -2.56789352375528        5.84477905342693
N           -4.95926910391269       -3.14057697200280        2.09304285812727
N           -5.47184200210116       -2.63111420498671        1.22100118305608
116
 energy: -148.613240623121 gnorm: 0.004273290812 xtb: 6.5.1 (b24c23e)
N           -2.46427923067853       -3.42920807329379        2.31139619559618
C           -2.19948887649501       -4.41840576411219        1.28981956472421
C           -2.50285475902939       -5.82023850119414        1.79511105471630
N           -3.84674644546873       -5.85764602891495        2.35866188696391
C           -4.87830181533922       -5.94573058107665        1.34184603937322
C           -6.24918647236938       -5.63324171545107        1.96116267422459
N           -6.17707417368452       -4.84591052556000        3.17721028951109
Mo          -4.15903177720106       -4.07340447552215        3.45928022894277
N           -3.30033877515674       -5.23517217074908        4.90154342160669
C           -3.20522038672882       -6.64125623120846        4.56589028741074
C           -3.99456103106592       -6.95531875356387        3.30400691898977
H           -3.60377174383435       -7.28352590305806        5.37243572377580
H           -2.15804497130727       -6.95318029859446        4.40769408911137
H           -5.05247663264039       -7.02962545693290        3.55582374622523
H           -3.66332064839141       -7.90777509849158        2.86051488800643
H           -6.82744075391531       -5.11068471159598        1.18114579585842
H           -6.77565349497657       -6.58626153249918        2.15469980488205
H           -4.65864773987697       -5.20810818326097        0.56751101286290
H           -4.88978965574793       -6.94398693531184        0.87365604644901
H           -1.14841125420882       -4.40233692684131        0.96761943041494
H           -2.81052957921885       -4.23147863098717        0.38651622962607
H           -1.79459635676414       -6.05308735404207        2.59244918840825
H           -2.38793246754743       -6.56045574896616        0.98768059196498
C           -1.98193178437642       -2.10702780409601        1.89537473238437
C           -0.43247256527813       -2.06717136937946        1.78139836076567
C            0.37059387240175       -2.64375674573210        2.94232789458214
C            1.86248213375022       -2.52019487758438        2.62262368194468
C            2.78218530584717       -3.15419535851552        3.65146360658456
Cl           2.56890661228007       -4.92571807978924        3.69949061587027
C           -2.47099855177100       -1.08159340775973        2.92907356911691
C           -2.20725640972429        0.38107302294328        2.57990652201471
C           -2.83772747948505        0.72093260045367        1.23577917265164
C           -2.27593907169930       -0.20108013857827        0.16236693846694
C           -2.53301245568694       -1.66643983550596        0.50716446687105
C           -7.49019848712971       -4.70045608920388        3.79053142832184
C           -7.80707811364392       -5.94899556154489        4.67954009202301
C           -6.85639835556449       -6.11982279620450        5.85613153692514
C           -7.00849748054880       -7.46759074182538        6.56388309902108
C           -8.33966214567235       -7.56284029011903        7.29364730362552
Cl          -8.41380031876171       -9.04499948300514        8.28704643007390
C           -7.55616519778124       -3.45027950145687        4.68805075051557
C           -7.65310497019873       -2.13796867443918        3.90804296049357
C           -8.87207619527125       -2.12715137156427        2.99448694687834
C           -8.73139753588868       -3.28837509531983        2.02011286310786
C           -8.69507082004944       -4.59060684209679        2.81231260442383
C           -2.73090087307142       -4.96923785764422        6.23709946436548
C           -3.86569956773202       -5.16510367036810        7.28081413216659
C           -3.56801482981060       -4.82916619919688        8.74050184820248
C           -4.75863016300661       -5.18000033050200        9.63362795885918
C           -4.48026418859354       -4.90475373385787       11.10246466623096
Cl          -3.18516745579722       -5.96905181040239       11.72145091953349
C           -1.53704530675832       -5.88094551653055        6.61603835950738
C           -0.29113337371635       -5.45252557663370        5.84990929342505
C            0.24566208648840       -4.15186409652416        6.44987640754218
C           -0.89729313412681       -3.32364292741984        7.04112751826575
C           -2.19948279802533       -3.51535422946474        6.26419368779540
H           -0.13920147332037       -2.59504198348429        0.87095183023862
H           -0.13225986958744       -1.02847369073377        1.64622911370200
H            0.10391783333164       -3.68996118114470        3.09343008508100
H            0.14863372427506       -2.09970684039640        3.86222561971590
H            2.06064546597503       -2.97482748664789        1.64911660923089
H            2.12874752135942       -1.46109239039222        2.55363295530435
H            2.58252853983546       -2.78351069036836        4.65709683989554
H            3.82861770788428       -2.97726069466076        3.39965964519064
H           -3.55256116870229       -1.21697911233849        2.98666737794331
H           -2.01705746933835       -1.31663413961731        3.89464207640245
H           -1.13593440095099        0.58822547757208        2.54730778465728
H           -2.63553810770851        1.01469798184967        3.36220198676498
H           -2.64456250739497        1.76535878678452        0.97914166567552
H           -3.91970244137054        0.58014949150007        1.29754671535407
H           -1.20677233736371       -0.01548317423332        0.04154174580809
H           -2.75335022330974        0.01631893414739       -0.79636344032082
H           -2.09215214210787       -2.28391783597740       -0.27673134459189
H           -3.61000842293309       -1.82747591181844        0.49320158538151
H           -8.83326931550512       -5.86805239617027        5.04267935658626
H           -7.75470924147905       -6.83906571466781        4.04813378261096
H           -7.03153326755017       -5.32910869838863        6.58843103573170
H           -5.83709875056707       -6.01389527465159        5.48014502816044
H           -6.20337506866950       -7.58484163927739        7.29287706660029
H           -6.92887448041789       -8.28426266406744        5.84349157678967
H           -9.17883749212407       -7.61149488501530        6.60116148127147
H           -8.47426737892290       -6.72236272285657        7.97596273253657
H           -6.67161681671242       -3.44799354729061        5.32532464602568
H           -8.43957752169547       -3.53651921328940        5.32730800257224
H           -7.70086975351859       -1.29851727856433        4.60959854590998
H           -6.77403697133284       -2.02639785706554        3.27259029561655
H           -8.93515166564753       -1.17772195370634        2.45823333071315
H           -9.78498833850391       -2.24651331139466        3.58573968372529
H           -7.81141244301421       -3.15647764693370        1.44844662487004
H           -9.56882964603922       -3.30941281710882        1.31904934056508
H           -8.73516466601462       -5.45134901092329        2.14551807787774
H           -9.60220832235395       -4.62667318476167        3.42280471982154
H           -4.71792452505376       -4.56300960532419        6.95107920280348
H           -4.16983218527779       -6.21306825215945        7.23513532135999
H           -2.70871329357985       -5.39765840444209        9.09468774570899
H           -3.34074764296387       -3.76696055630029        8.85131605457893
H           -5.00915867151488       -6.23545998791712        9.50991641715036
H           -5.63266101713218       -4.59120997483203        9.34154839031395
H           -4.14039844638865       -3.88066167085336       11.25861776968693
H           -5.35847677715535       -5.10051604599977       11.71745005909303
H           -1.76307625048942       -6.93215052002529        6.45352562048715
H           -1.33156543047599       -5.77953343396667        7.68063790386298
H           -0.55208010414851       -5.29119821029781        4.80261166057930
H            0.47518938722686       -6.22887608301658        5.88771181963310
H            0.97503649210978       -4.37239638128215        7.23240422944090
H            0.75564719711351       -3.58071062167589        5.67664254715095
H           -0.62962761999649       -2.26325421940454        7.02943196794515
H           -1.05210666938319       -3.59788695897676        8.08565550563513
H           -2.94627340644053       -2.85943367264510        6.71372822383564
H           -2.04181537206366       -3.22308891164247        5.22071206283983
N           -4.58534776015915       -2.18582229933900        4.93477716748632
H           -5.32512431364665       -1.58145290150670        4.58802758923205
H           -3.75975918589791       -1.61374581971819        5.08224695246496
H           -4.87727842604715       -2.54366239806779        5.83989822406411
N           -4.95361064496350       -3.13994054305002        2.08356231310841
N           -5.49253765212746       -2.63348298136017        1.22725963992538
116
 energy: -148.613434567135 gnorm: 0.004345853137 xtb: 6.5.1 (b24c23e)
N           -2.46395792930348       -3.42613524128822        2.30910543475885
C           -2.19776208365031       -4.41846673771479        1.29095797208368
C           -2.50277634063034       -5.81831437738632        1.80006084933161
N           -3.84814574442474       -5.85476615248621        2.35925660415359
C           -4.87689176325510       -5.94316321925046        1.34023647322908
C           -6.24854425454578       -5.62472966089159        1.95502412375724
N           -6.17689804929785       -4.84438103136371        3.17554082410340
Mo          -4.15945660159120       -4.06953200538532        3.45657623801412
N           -3.30588702599802       -5.23211343589758        4.90340340722314
C           -3.21267088451261       -6.63802334847005        4.56877888690364
C           -3.99908862030590       -6.95171323945942        3.30455789172875
H           -3.61453591966786       -7.27984675958494        5.37440187988594
H           -2.16566937840037       -6.95306362220236        4.41348907364091
H           -5.05764514165310       -7.02579222311449        3.55345474436765
H           -3.66710477200870       -7.90450237290376        2.86199568827421
H           -6.82052760942260       -5.09370154719038        1.17531275312681
H           -6.78206079624349       -6.57524578182944        2.14102570154918
H           -4.65339140256137       -5.20928581360241        0.56392767540402
H           -4.88945030701833       -6.94308541310414        0.87576985600891
H           -1.14533069511691       -4.40451250405289        0.97159575326365
H           -2.80532864354797       -4.23377347385731        0.38387684633480
H           -1.79717562899468       -6.04705514577729        2.60089134843935
H           -2.38441074726588       -6.56194737262291        0.99627738061327
C           -1.97973712797755       -2.10565766799357        1.89150192009403
C           -0.42992190827394       -2.06974320920871        1.77422563091912
C            0.37252335415759       -2.64364522460200        2.93621243206825
C            1.86391510737697       -2.53126539413429        2.61227186413196
C            2.77998044635191       -3.16739280187987        3.64233735098172
Cl           2.55439342696369       -4.93752368479446        3.69610662330018
C           -2.46275487473025       -1.07831092363399        2.92637680994478
C           -2.18874356706252        0.38281332359230        2.57797582080059
C           -2.81922404062127        0.72755084602360        1.23513690564245
C           -2.26846041360042       -0.19934056142168        0.15955645921929
C           -2.53169731395595       -1.66360661814020        0.50482048061775
C           -7.49010457953224       -4.70436332022073        3.79136461504381
C           -7.80168774346677       -5.95815250013601        4.67567727513625
C           -6.84886307907937       -6.12816626662628        5.85052533889486
C           -6.98833076345823       -7.48138221101244        6.55063336938386
C           -8.31455628543533       -7.58886606022555        7.28725010383826
Cl          -8.37615903032207       -9.07999203664900        8.26934587957805
C           -7.55514738823045       -3.45902498339499        4.69576599741155
C           -7.65983375657327       -2.14271235825407        3.92383222772052
C           -8.88202887069380       -2.12981810909803        3.01456469409989
C           -8.74345575900190       -3.28504583028224        2.03302701433904
C           -8.69717443258143       -4.59286117226343        2.81560123946083
C           -2.73815022239344       -4.96539447796826        6.23936288345383
C           -3.87456790251600       -5.15720554513156        7.28216800831971
C           -3.57820999293800       -4.81917008776399        8.74189396436014
C           -4.76933535553254       -5.16935980451757        9.63469453194901
C           -4.49365921528068       -4.88805271246296       11.10269191945443
Cl          -3.19759390403361       -5.94769207282644       11.72790307248588
C           -1.54674966527361       -5.87872468104075        6.62148831817915
C           -0.29843227841795       -5.45387042363685        5.85708264434691
C            0.23888375523587       -4.15175692682841        6.45385264195447
C           -0.90338764720675       -3.32227413452716        7.04419027781066
C           -2.20443667425567       -3.51251983381422        6.26507020749202
H           -0.13961877028398       -2.60172238640762        0.86566692279261
H           -0.12773937311719       -1.03277491649530        1.63452979474850
H            0.10020241419263       -3.68682717045941        3.09468867425405
H            0.15621379813050       -2.09230351881915        3.85260024957318
H            2.05680535217260       -2.99130703187830        1.64053967246537
H            2.13711958440797       -1.47428493988948        2.53772660378370
H            2.58277576847165       -2.79245750674699        4.64639565453396
H            3.82715155302808       -2.99890694285877        3.38977955810320
H           -3.54549545594608       -1.20620007365423        2.98356930651594
H           -2.01085430185625       -1.31770300142685        3.89170405488532
H           -1.11588399679266        0.58231510852253        2.54379419969321
H           -2.61084554445913        1.01913912672335        3.36146530578800
H           -2.61714136869501        1.77033264769991        0.97649582930912
H           -3.90274770733621        0.59778984241077        1.30042636304378
H           -1.19882619207648       -0.02006010375995        0.03551683805797
H           -2.74792174955542        0.02179476820276       -0.79688906466415
H           -2.09380959494853       -2.28224266767528       -0.27890006026281
H           -3.60864077810520       -1.82108500256177        0.49198891659438
H           -8.82821389796397       -5.88271432930347        5.03989594991414
H           -7.74667950149224       -6.84598676383965        4.04079610754855
H           -7.03014599021315       -5.34329958992026        6.58748675796095
H           -5.83091119784386       -6.01114965729055        5.47445225455979
H           -6.17823249473943       -7.59853641672612        7.27410552955886
H           -6.90787996489453       -8.29279515172891        5.82447965660698
H           -9.15749983273836       -7.63611321555431        6.59922009224086
H           -8.44900106094818       -6.75494259165141        7.97741582916102
H           -6.66553100985649       -3.45844447479453        5.32648845084014
H           -8.43433806302879       -3.55139544800462        5.34047626731703
H           -7.70666991042974       -1.30700964491197        4.62953454631699
H           -6.78317423120276       -2.02601455561538        3.28523951214391
H           -8.94722522542786       -1.17766016736464        2.48338210173726
H           -9.79401519711742       -2.25166064331396        3.60719321168842
H           -7.82741916255549       -3.14737209612270        1.45576321713472
H           -9.58534269142439       -3.30416003144073        1.33728594623200
H           -8.73194570237599       -5.44746914226396        2.14086391948176
H           -9.60349316779789       -4.64045063475582        3.42666806833542
H           -4.72524157815357       -4.55381812941425        6.95038160799633
H           -4.18078241261855       -6.20466889584064        7.23812458228427
H           -2.71892672016481       -5.38679207613982        9.09777139873244
H           -3.35152459830423       -3.75662011187871        8.85131201073144
H           -5.01733685544299       -6.22576307089498        9.51445360486173
H           -5.64428634346328       -4.58365640908757        9.33934975961977
H           -4.15555463056898       -3.86296860350473       11.25548857851342
H           -5.37225907520074       -5.08297290925330       11.71710658336105
H           -1.77434663486315       -6.92962439363183        6.45938255814241
H           -1.34283686113725       -5.77693441520636        7.68630105780797
H           -0.55669291982127       -5.29583706133334        4.80872329852334
H            0.46657153499705       -6.23111568854469        5.89933799472287
H            0.96917070057723       -4.37041995352761        7.23606157600003
H            0.74788791043278       -3.58210271072223        5.67871805451395
H           -0.63449910465377       -2.26245308012568        7.03312010327266
H           -1.06014139158591       -3.59684211236130        8.08817384960079
H           -2.95097708525351       -2.85469420068525        6.71184021562614
H           -2.04389115983312       -3.22229745148001        5.22149766223925
N           -4.58559678644750       -2.17704071229940        4.93003187069342
H           -5.32194135988097       -1.57233096094158        4.57831717651224
H           -3.75835368617237       -1.60786578415034        5.07726371081634
H           -4.88178069850254       -2.52940808446959        5.83570189281391
N           -4.96320644357882       -3.13186346132711        2.08849697802736
N           -5.49742298376382       -2.62595217518524        1.23028521796975
116
 energy: -148.613662848009 gnorm: 0.004737733935 xtb: 6.5.1 (b24c23e)
N           -2.46374810221512       -3.42218034068646        2.30604387286234
C           -2.19318481963886       -4.41820556538002        1.29301038933384
C           -2.50221140846369       -5.81556884187462        1.80560190854738
N           -3.84928544488052       -5.85029286489852        2.35994942460927
C           -4.87596103150560       -5.93767272237676        1.33943438191261
C           -6.24832785794537       -5.61408463981874        1.95084936253473
N           -6.17798479591633       -4.84157067193535        3.17618825956336
Mo          -4.15985561625573       -4.06476525520077        3.45417365896580
N           -3.30984279970699       -5.22870683308751        4.90430027205362
C           -3.21967628948801       -6.63433543297159        4.57146165026892
C           -4.00273949388882       -6.94727032042358        3.30442591284344
H           -3.62557952192282       -7.27531581719486        5.37616466014859
H           -2.17302735744881       -6.95379526460176        4.41989206381121
H           -5.06189118426576       -7.02258333294851        3.55005720977803
H           -3.66891068343533       -7.89945897274175        2.86176192556704
H           -6.81432837398992       -5.07466006926620        1.17241057404611
H           -6.78776862718268       -6.56219018986706        2.12878013569243
H           -4.64842640314034       -5.20701000675680        0.56150404922880
H           -4.89040933111576       -6.93901491788684        0.87803506229783
H           -1.13816634935635       -4.40760800332068        0.98073032762427
H           -2.79320028162147       -4.23566669818278        0.37965084409622
H           -1.80011511144878       -6.04051286845997        2.61050371824150
H           -2.38060818114421       -6.56313430202430        1.00602238619047
C           -1.97685732696880       -2.10405084376803        1.88659395109035
C           -0.42643343744706       -2.07275765303131        1.76625946176480
C            0.37367144175472       -2.64683382972653        2.92906132076441
C            1.86513267394337       -2.54845674602908        2.60267973323798
C            2.77462316367273       -3.18625893429455        3.63700159183184
Cl           2.53541296569396       -4.95484348297572        3.69672010853035
C           -2.45285312299175       -1.07454991209946        2.92269835878496
C           -2.16774138359268        0.38447712587764        2.57510253690203
C           -2.79852670640977        0.73411451429234        1.23402227838240
C           -2.25903783423113       -0.19688127384882        0.15622044398028
C           -2.52902152131716       -1.66041469309483        0.50085255717886
C           -7.49148152262851       -4.70884188874092        3.79489017251571
C           -7.79719153815092       -5.96892986347986        4.67299241448435
C           -6.84059804831670       -6.14023906743759        5.84447793976599
C           -6.96458322798161       -7.49960872790730        6.53541827462280
C           -8.28498061704386       -7.62344935184484        7.27872207025753
Cl          -8.33152121282452       -9.12664728047160        8.24494110426200
C           -7.55767263932288       -3.46999049257137        4.70772496686275
C           -7.66929585610695       -2.14924648136288        3.94577491515870
C           -8.89064039011541       -2.13074419329536        3.03625400200952
C           -8.75817738446513       -3.28185876663501        2.05013682462133
C           -8.70061672854607       -4.59535054757006        2.82187717543766
C           -2.74504009669577       -4.96029628656258        6.24077198962527
C           -3.88363460334321       -5.14830731857280        7.28179139284267
C           -3.58990638538508       -4.80567044301629        8.74105323856188
C           -4.78232465842953       -5.15444225887069        9.63269985417292
C           -4.51057749409677       -4.86720367514805       11.10006423073079
Cl          -3.21178514504262       -5.91997577685676       11.73173293939060
C           -1.55606709510858       -5.87468327813097        6.62702116593103
C           -0.30598181460171       -5.45409246818484        5.86309535264012
C            0.23186108078804       -4.14975705674155        6.45481561198959
C           -0.90929440615917       -3.31779393355840        7.04349594073820
C           -2.21013267158435       -3.50806317502167        6.26422283738094
H           -0.13929097283473       -2.60706604913078        0.85844429520679
H           -0.12159491323666       -1.03735469735780        1.62442590607209
H            0.09337644410144       -3.68655319448435        3.09379543521808
H            0.16360930316933       -2.08865100689835        3.84226127501085
H            2.05348333462420       -3.01592815050699        1.63378787910918
H            2.14686739152616       -1.49424295835445        2.52109272971739
H            2.57694760010438       -2.80655927330226        4.63889049808276
H            3.82343095476462       -3.02728201861612        3.38687316403619
H           -3.53656388241886       -1.19411191097352        2.98027639921098
H           -2.00289609507698       -1.31903443578256        3.88746846526664
H           -1.09354598117986        0.57571785771873        2.53893963370169
H           -2.58270048669239        1.02351752689876        3.36001088637761
H           -2.58826558503497        1.77468112369873        0.97337424996550
H           -3.88262472335921        0.61462148646016        1.30267387464904
H           -1.18874748177096       -0.02466757777800        0.02865144691370
H           -2.74048862793311        0.02872133529520       -0.79787274929322
H           -2.09229706729105       -2.27957424404015       -0.28317769387495
H           -3.60634161311550       -1.81535223320698        0.48799652807041
H           -8.82307125114332       -5.89847967425162        5.04008382295754
H           -7.74142035680862       -6.85340204917790        4.03346141893814
H           -7.02731418297505       -5.36292595575014        6.58770089926963
H           -5.82505638806976       -6.01076170694324        5.46705701220693
H           -6.14931319112752       -7.61449083886142        7.25320719163508
H           -6.88121709540198       -8.30515012813644        5.80336903580048
H           -9.13188101412371       -7.66873829168721        6.59571639338586
H           -8.42006628707131       -6.79891253574664        7.97970965152077
H           -6.66521627527673       -3.46973905225794        5.33408735738392
H           -8.43345753297217       -3.57053397935990        5.35538647357223
H           -7.71920251867033       -1.31964191207717        4.65808460231306
H           -6.79322766555670       -2.02430633302678        3.30786383211034
H           -8.94779564336071       -1.17780732467346        2.50685916430327
H           -9.80481868549880       -2.24646475607697        3.62567245923149
H           -7.84917241572920       -3.13940910715210        1.46280750290053
H           -9.60835845183857       -3.29933256027767        1.36418051671353
H           -8.72943549131887       -5.44228382110594        2.13752632425507
H           -9.60583266385518       -4.65641992024709        3.43302772002468
H           -4.73335518825251       -4.54557856038981        6.94637237321011
H           -4.19011630162852       -6.19570206637351        7.24066321800838
H           -2.73065328681347       -5.37141378975935        9.10001950403263
H           -3.36433112046052       -3.74258458741209        8.84764479336622
H           -5.02843485157293       -6.21155419437333        9.51558190747081
H           -5.65747213952532       -4.57114672884846        9.33336920793230
H           -4.17639690850342       -3.84051085866508       11.25015672028110
H           -5.38960087983672       -5.06336353999878       11.71334847111128
H           -1.78541359010139       -6.92554041891066        6.46686633009568
H           -1.35341787890293       -5.77075329627500        7.69183659616082
H           -0.56246881110043       -5.30044732182658        4.81375731807223
H            0.45800194977936       -6.23187576722973        5.90999241122597
H            0.96336392077167       -4.36554271751574        7.23665922924359
H            0.73942798960161       -3.58274160069194        5.67683865319241
H           -0.63923717616112       -2.25843588286001        7.02998958384379
H           -1.06681844170831       -3.58996166010368        8.08786705177376
H           -2.95632210965661       -2.84902506045922        6.70931992544669
H           -2.04874715965841       -3.21995632013487        5.22022090876366
N           -4.58645835378367       -2.16630770939629        4.92566055281823
H           -5.31937310407817       -1.56077330219331        4.56917472017900
H           -3.75765441442224       -1.60027867115026        5.07513076188018
H           -4.88814692469895       -2.51583781986997        5.83026262059494
N           -4.97017178682930       -3.11972795124513        2.09399152384335
N           -5.50454320097009       -2.60916853455333        1.23853671882647
116
 energy: -148.613881047306 gnorm: 0.004030321113 xtb: 6.5.1 (b24c23e)
N           -2.46285186576046       -3.41811094242675        2.30362952223177
C           -2.18743262011709       -4.41771505949977        1.29590080731352
C           -2.50226146308624       -5.81231081741824        1.81164383062431
N           -3.85113943859064       -5.84342408051849        2.36163150699335
C           -4.87568463463895       -5.92911916555438        1.33893540920310
C           -6.24894912653891       -5.60135001675679        1.94755029758708
N           -6.17897804778090       -4.83781660551144        3.17834408615563
Mo          -4.16053462205458       -4.05547661026565        3.45339086116917
N           -3.31443720269764       -5.22402372948281        4.90391182254611
C           -3.22766805146076       -6.63000160000113        4.57403589036456
C           -4.00711989556611       -6.94183270768615        3.30410427338250
H           -3.63831556321031       -7.26911444445026        5.37808392479803
H           -2.18148882495285       -6.95414409589480        4.42687444181219
H           -5.06698164182322       -7.01882769634628        3.54594919440641
H           -3.67080745333624       -7.89286735231529        2.86080931925587
H           -6.80901990924717       -5.05271618514066        1.17134317057847
H           -6.79375798100191       -6.54743647558638        2.11662086720629
H           -4.64386819414415       -5.20032432443820        0.56037572452164
H           -4.89221306308634       -6.93128587909873        0.87914155989732
H           -1.12984184342148       -4.41138314122212        0.99193676438941
H           -2.77910768739049       -4.23665183408690        0.37666026601863
H           -1.80397593828024       -6.03482523414855        2.62050773529176
H           -2.37843438979394       -6.56353730358645        1.01588630405407
C           -1.97290844413834       -2.10243331016985        1.88196813131894
C           -0.42219662577991       -2.07692090839818        1.75821499986485
C            0.37478356425484       -2.65305285128631        2.92186637909228
C            1.86693139325899       -2.57188334333669        2.59348773233074
C            2.76843260439875       -3.21132586624081        3.63375563246658
Cl           2.51415236408865       -4.97801951477402        3.70084186104333
C           -2.44168760920196       -1.07044603964304        2.91880512353746
C           -2.14501850541648        0.38607860423711        2.57148020639959
C           -2.77615243118771        0.74083557177639        1.23217339541774
C           -2.24865289555203       -0.19449084291636        0.15234057712918
C           -2.52635252069504       -1.65699803104656        0.49708558894686
C           -7.49234668222323       -4.71406409983244        3.80050999598213
C           -7.79194497013956       -5.98148703389352        4.67060394132525
C           -6.83070753409589       -6.15559867814754        5.83789557226284
C           -6.93674412064720       -7.52275385426497        6.51673777955304
C           -8.25058406535381       -7.66707064708604        7.26724966183831
Cl          -8.27896553331518       -9.18506937360109        8.21282329966402
C           -7.56104221100776       -3.48245142216804        4.72231054205004
C           -7.67918404844472       -2.15670174356566        3.97135591616333
C           -8.89955539364481       -2.13180614242474        3.06123617772484
C           -8.77360191024002       -3.27881129731289        2.07007853630724
C           -8.70391715757898       -4.59775646794914        2.83109089091270
C           -2.75262129851244       -4.95345198172831        6.24095119725378
C           -3.89348183284051       -5.13757734464624        7.28004647450022
C           -3.60348377864199       -4.78848312907383        8.73845323673919
C           -4.79783169744925       -5.13531634584914        9.62827788719806
C           -4.53118806211597       -4.84171139550689       11.09529661360706
Cl          -3.22861841665644       -5.88586368570855       11.73409061408866
C           -1.56600774643961       -5.86856493703055        6.63240166968246
C           -0.31418862346945       -5.45315712440487        5.86856338226626
C            0.22444469642275       -4.14615672037039        6.45389638406998
C           -0.91533521050199       -3.31084166065944        7.04039500933569
C           -2.21652256617417       -3.50173071615186        6.26202542486028
H           -0.13869987256319       -2.61309963524278        0.85034640918806
H           -0.11327607799481       -1.04299491809823        1.61494001505817
H            0.08392516257320       -3.68903148534856        3.09285104287467
H            0.17213402873026       -2.08760315309840        3.83236973100748
H            2.05058093544175       -3.04886748624823        1.62816450532327
H            2.15917235820239       -1.52110827323514        2.50359275896390
H            2.56951450923379       -2.82547607844464        4.63324440215370
H            3.81955593347027       -3.06262071028649        3.38705127320254
H           -3.52615231816439       -1.18158014483103        2.97686752260877
H           -1.99374149728924       -1.31965605893749        3.88319380850944
H           -1.06949952343217        0.56838027958373        2.53314794298700
H           -2.55247372443008        1.02839093038948        3.35750162690705
H           -2.55720431121863        1.77894596344783        0.97033531905829
H           -3.86053185109135        0.63127614837798        1.30389496815783
H           -1.17755313893213       -0.03031619476512        0.01935864568752
H           -2.73285109841513        0.03508941550333       -0.79944936126453
H           -2.09224695269400       -2.27763945759944       -0.28822008583793
H           -3.60473237170547       -1.80855676116466        0.48560831677981
H           -8.81674772904404       -5.91683178776687        5.04145039696237
H           -7.73537017155424       -6.86140132033203        4.02514407254901
H           -7.02331965028432       -5.38772757559391        6.58937320876465
H           -5.81811893037115       -6.01133707021028        5.45841818474429
H           -6.11584903847792       -7.63496499162061        7.22846490558939
H           -6.84904590958183       -8.32105936311281        5.77730864779556
H           -9.10198007895248       -7.70925047857124        6.58992966428564
H           -8.38687317134464       -6.85428609622390        7.98172932458758
H           -6.66682379113730       -3.48160543318070        5.34573737361802
H           -8.43393456506839       -3.59193654987817        5.37174983646599
H           -7.73291346111318       -1.33432316772950        4.69189366947494
H           -6.80387013429812       -2.02241349491501        3.33453698080194
H           -8.94810269110197       -1.17755919482782        2.53324544869515
H           -9.81586907376674       -2.24148799607657        3.64804644303908
H           -7.87287545503663       -3.13051308450029        1.47163163871602
H           -9.63320075339518       -3.29558168918471        1.39532773338199
H           -8.72790347076426       -5.43700151040441        2.13729577308471
H           -9.60748802008047       -4.67194050489826        3.44283398493522
H           -4.74265551207856       -4.53691070201396        6.93987176985717
H           -4.19887098580395       -6.18526776785814        7.24293790089065
H           -2.74431822043354       -5.35154531589951        9.10166653310835
H           -3.37953010988035       -3.72473226103073        8.84132627035628
H           -5.04221699750156       -6.19318244458746        9.51443621778081
H           -5.67280970107252       -4.55423280757726        9.32403920874651
H           -4.20262381089406       -3.81280204434241       11.24279448626605
H           -5.41082315791081       -5.04031380336564       11.70705451396496
H           -1.79751321729204       -6.91952502144798        6.47539610893137
H           -1.36466256180024       -5.76132698693494        7.69717956117332
H           -0.56898001813827       -5.30480116343571        4.81805191669788
H            0.44885359664632       -6.23152028237971        5.92069560914230
H            0.95716690082629       -4.35838516214589        7.23553463744595
H            0.73057846650353       -3.58266375254320        5.67250394512388
H           -0.64366526785245       -2.25184178740913        7.02298709578831
H           -1.07291778777931       -3.57912246763845        8.08580847359780
H           -2.96230012481115       -2.84172527648064        6.70620753525712
H           -2.05540305041403       -3.21548964787816        5.21742074183326
N           -4.58756067002313       -2.15329275338207        4.92164284122588
H           -5.31620896057023       -1.54576021821094        4.55915084494492
H           -3.75713634802302       -1.59059928879614        5.07525602068333
H           -4.89702255961784       -2.50045852752996        5.82451156152531
N           -4.97494156134045       -3.10453272480763        2.09912351765409
N           -5.51146759806100       -2.58629994865971        1.24902265441824
116
 energy: -148.614083922562 gnorm: 0.003499064464 xtb: 6.5.1 (b24c23e)
N           -2.46233984533868       -3.41430251223735        2.30250067920688
C           -2.18259876606222       -4.41677422093013        1.29905645737123
C           -2.50289526579319       -5.80937212060061        1.81617576349918
N           -3.85331605261284       -5.83671159032742        2.36242875902474
C           -4.87652297726980       -5.91863530970011        1.33792043602509
C           -6.25044949662191       -5.58787604564294        1.94502809256822
N           -6.18087511021024       -4.83280497008746        3.18081042240190
Mo          -4.16127703977133       -4.04828644712993        3.45255648433525
N           -3.31832311705925       -5.21792998941144        4.90324598231405
C           -3.23603441931950       -6.62487405674337        4.57642460580949
C           -4.01210142558806       -6.93587886294051        3.30386478670440
H           -3.65147975745589       -7.26091691626213        5.38038644399702
H           -2.19054863020251       -6.95329352919718        4.43380699202600
H           -5.07270012562547       -7.01402736253507        3.54186807276119
H           -3.67365838561647       -7.88586635417524        2.86023031150802
H           -6.80592617602721       -5.03108183080782        1.17166722062141
H           -6.79934286601232       -6.53256515768245        2.10599346401199
H           -4.64099828297646       -5.18961730118619        0.56037871822838
H           -4.89501667567455       -6.92047425649217        0.87744113962239
H           -1.12316559171829       -4.41426930785094        1.00247165066500
H           -2.76729727886974       -4.23628324134491        0.37583833206135
H           -1.80795965053176       -6.03155125770171        2.62800106284814
H           -2.37829805858373       -6.56283907526025        1.02278256528426
C           -1.96844050087303       -2.10087370593475        1.87894054031597
C           -0.41786349164777       -2.08189875390964        1.75203014413534
C            0.37603636732245       -2.66214766135022        2.91589638237380
C            1.86906549717147       -2.59930554794452        2.58617102842672
C            2.76281119264760       -3.24026884851250        3.63252286030997
Cl           2.49443002477827       -5.00474184145362        3.70753909269830
C           -2.43076410259147       -1.06636012537479        2.91589034125838
C           -2.12397918235939        0.38758977001360        2.56775204743796
C           -2.75512469430463        0.74673014477565        1.22961721139316
C           -2.23870852351473       -0.19285405737174        0.14843422875223
C           -2.52385440646911       -1.65377016604516        0.49483823015948
C           -7.49297883281342       -4.71875140962345        3.80745628817816
C           -7.78587182406000       -5.99395087010401        4.66877423250383
C           -6.81996246302262       -6.17241447444866        5.83171867795313
C           -6.90779721683228       -7.54824255609415        6.49608333050807
C           -8.21516370447271       -7.71508189364509        7.25301329827463
Cl          -8.22462055898198       -9.24846466866467        8.17521256619135
C           -7.56397106533547       -3.49436333210411        4.73811170854341
C           -7.68769304086915       -2.16400218895929        3.99689479364925
C           -8.90832261174002       -2.13356482789266        3.08746257890281
C           -8.78725145607448       -3.27624398011530        2.09067506565765
C           -8.70746175017998       -4.59977822166327        2.84236292630738
C           -2.75962852424013       -4.94497310715856        6.24084556606825
C           -3.90302831123894       -5.12547097483124        7.27760762056383
C           -3.61747226557151       -4.76895795218052        8.73487574394797
C           -4.81430798797600       -5.11372892271996        9.62212602260129
C           -4.55342420119126       -4.81402257832072       11.08904657527443
Cl          -3.24682782259175       -5.84896229912514       11.73492903762003
C           -1.57529841593353       -5.86087740475226        6.63719766472315
C           -0.32206477177188       -5.45086461859336        5.87304130629337
C            0.21762646880616       -4.14125197386944        6.45166003583707
C           -0.92057655898412       -3.30204367647217        7.03576684955892
C           -2.22251520055527       -3.49361571676337        6.25911427648237
H           -0.13796476559350       -2.61911238052318        0.84341758713546
H           -0.10360841482615       -1.04940756130414        1.60826218351901
H            0.07364789130214       -3.69435311477351        3.09194895838377
H            0.18117276383731       -2.09055909716389        3.82463763405817
H            2.04797345417612       -3.08619213433016        1.62462247933076
H            2.17240324608656       -1.55237796596747        2.48800871357595
H            2.56311972389896       -2.84783438439921        4.62970862514905
H            3.81621774469854       -3.10102520589042        3.38906029295577
H           -3.51573419111118       -1.17032245675414        2.97430742005758
H           -1.98458433673285       -1.31871650076912        3.88028798989241
H           -1.04733521191701        0.56164092475253        2.52736226787028
H           -2.52484226235193        1.03340960655944        3.35420674295770
H           -2.52795971172689        1.78253745755057        0.96730349711993
H           -3.83975456000826        0.64586215377510        1.30372565566473
H           -1.16703699636327       -0.03623154513206        0.00921339181669
H           -2.72602139733697        0.03926607655642       -0.80142514409311
H           -2.09450659866466       -2.27710535219253       -0.29203899712142
H           -3.60350919447227       -1.80081689857478        0.48637968383007
H           -8.80954228745466       -5.93598653006309        5.04344035016235
H           -7.72795386667939       -6.86855637265665        4.01660078595218
H           -7.01831213357076       -5.41518224455028        6.59266473298741
H           -5.81047961213063       -6.01269575367490        5.45034575957316
H           -6.08157758869953       -7.65885269777402        7.20197555715079
H           -6.81539858615574       -8.33805756022551        5.74792330569358
H           -9.07093060150629       -7.75347755814792        6.58119177233179
H           -8.35303318439661       -6.91505768148968        7.98173151694684
H           -6.66861531576040       -3.49286356543754        5.35994552846684
H           -8.43475055691717       -3.61174308417667        5.38845077231857
H           -7.74360397325634       -1.34804516869551        4.72480727277864
H           -6.81377944425849       -2.02199117189693        3.36036656943385
H           -8.95208202098692       -1.17743164697505        2.56176732083444
H           -9.82520754967691       -2.24062223756939        3.67352719931104
H           -7.89371143079155       -3.12166665799623        1.48368585545791
H           -9.65415575790212       -3.29287639604246        1.42506802293861
H           -8.72917711474878       -5.43292124870849        2.14129520702843
H           -9.60879809773039       -4.68368636325275        3.45566515199050
H           -4.75204805617238       -4.52787941061504        6.93196967609405
H           -4.20632361094340       -6.17376834187256        7.24500244801453
H           -2.75850521475223       -5.32899526342746        9.10299443091387
H           -3.39540368310690       -3.70448560092225        8.83366664092070
H           -5.05713655364784       -6.17232606949009        9.51134594093894
H           -5.68884375975135       -4.53463420440703        9.31255301129653
H           -4.23125187036173       -3.78268729674751       11.23426230286998
H           -5.43383576760900       -5.01571291510101       11.69893312728016
H           -1.80919975191712       -6.91196533189647        6.48378564302435
H           -1.37523326486870       -5.74980044746456        7.70188376243661
H           -0.57536942175216       -5.30791214018671        4.82135434400905
H            0.44004918768774       -6.22988451758889        5.93019865992788
H            0.95141138768056       -4.34987279480532        7.23322982024422
H            0.72260092571331       -3.58167001961342        5.66680187525932
H           -0.64705703824161       -2.24336554436575        7.01375374765679
H           -1.07776144222889       -3.56566498696001        8.08258060502933
H           -2.96781033373225       -2.83268222962075        6.70293534014191
H           -2.06236221072250       -3.20923080513469        5.21370735682104
N           -4.58807622558095       -2.13995220033271        4.91609514558789
H           -5.31205786548061       -1.52937102319328        4.54805693930627
H           -3.75676677203575       -1.57991472707756        5.07599979952119
H           -4.90655571255600       -2.48546990426805        5.81666917651016
N           -4.97453181391094       -3.08983285019078        2.10311003917263
N           -5.51873215156231       -2.55950761933846        1.26429529776919
116
 energy: -148.614297692103 gnorm: 0.003394096509 xtb: 6.5.1 (b24c23e)
N           -2.46133578035678       -3.41129297850281        2.30237170332336
C           -2.17913605403968       -4.41562638914316        1.30147544295953
C           -2.50527707572414       -5.80648391631260        1.81908479436103
N           -3.85654737576251       -5.82828128403439        2.36378770858333
C           -4.87861965733893       -5.90611918353705        1.33724244735019
C           -6.25284953086343       -5.57438353910540        1.94401591412111
N           -6.18201557883608       -4.82700189882872        3.18421757617187
Mo          -4.16198611142113       -4.03699939172867        3.45341052678224
N           -3.32315437127564       -5.21021430635042        4.90131088850751
C           -3.24448243966588       -6.61878848349542        4.57800198309137
C           -4.01790104788541       -6.92910955613186        3.30351766776272
H           -3.66427669726660       -7.25110772944006        5.38226924254273
H           -2.19972855882309       -6.95045322747341        4.43953097444862
H           -5.07909946060085       -7.00806038111727        3.53810112219265
H           -3.67768754313002       -7.87818640933023        2.85959328514004
H           -6.80561161485447       -5.01096790656783        1.17397568357522
H           -6.80420927720433       -6.51848018532897        2.09808666805176
H           -4.64042877598741       -5.17476696762304        0.56242521746830
H           -4.89854710618696       -6.90650446930027        0.87364518517910
H           -1.11871690239755       -4.41678805910844        1.01033594391226
H           -2.75905713655951       -4.23467087872740        0.37637101813003
H           -1.81263987332194       -6.03090820070042        2.63222612209213
H           -2.38220919421837       -6.56084385928235        1.02639650419611
C           -1.96295236771129       -2.09973679738382        1.87754628743471
C           -0.41287946662274       -2.08782252725236        1.74826765749561
C            0.37753242937956       -2.67485705834366        2.91160628229012
C            1.87125195919734       -2.63080512592742        2.58100178549059
C            2.75780786434339       -3.27335093900233        3.63297798400495
Cl           2.47651592994204       -5.03519390548460        3.71604718280660
C           -2.41979842263917       -1.06255072739733        2.91395926124661
C           -2.10503580332110        0.38900236321289        2.56405340977068
C           -2.73587534285237        0.75139503394505        1.22645022871808
C           -2.22884920691282       -0.19234266504645        0.14492167151890
C           -2.52080883925682       -1.65114890400382        0.49434928173675
C           -7.49207731114283       -4.72327531481979        3.81597241997690
C           -7.77840793782450       -6.00647340524276        4.66781314458951
C           -6.80814764194108       -6.19060251427558        5.82643050139272
C           -6.87797655147283       -7.57601437662526        6.47317589457762
C           -8.17906799274426       -7.76745631491131        7.23502204908118
Cl          -8.16914186023763       -9.31653837166733        8.13081015481250
C           -7.56566395327124       -3.50580819027727        4.75499897870488
C           -7.69420768117820       -2.17137189347403        4.02196755818195
C           -8.91690536348345       -2.13664519012202        3.11543186344636
C           -8.79816139666258       -3.27431322138778        2.11227888015262
C           -8.71034577665946       -4.60161073060408        2.85611102393692
C           -2.76666219184007       -4.93491424885885        6.23926139087030
C           -3.91217942594890       -5.11165443023157        7.27408833195604
C           -3.63174116715978       -4.74672049025419        8.73001801019320
C           -4.83157087283348       -5.08913540036025        9.61412496492730
C           -4.57734905358801       -4.78365400069731       11.08115881720219
Cl          -3.26694120181835       -5.80902819403741       11.73444551602612
C           -1.58442875267846       -5.85130586415212        6.64077029134945
C           -0.32986200703586       -5.44690397882473        5.87620562120392
C            0.21129265065270       -4.13498566980652        6.44814722574519
C           -0.92525787021711       -3.29154015466914        7.02948473405902
C           -2.22817377689788       -3.48397324649397        6.25491711940912
H           -0.13628213932874       -2.62455573791269        0.83808365279504
H           -0.09259484774346       -1.05667713644795        1.60587391090373
H            0.06307192016838       -3.70320567955134        3.09074564543400
H            0.19051685198379       -2.09896706600437        3.81959694315761
H            2.04518149494131       -3.12743342298838        1.62332651415915
H            2.18603904322906       -1.58814405963934        2.47492326411742
H            2.55835111302357       -2.87433149525033        4.62799370918065
H            3.81315755676270       -3.14264973576111        3.39206346252169
H           -3.50499528786892       -1.16081673426232        2.97280933214980
H           -1.97503827591427       -1.31614439173574        3.87872030177329
H           -1.02757631888920        0.55620291336731        2.52185040656289
H           -2.50068608586853        1.03826361314738        3.35021445303613
H           -2.50145707354641        1.78513344215190        0.96390174242448
H           -3.82077070776668        0.65787294067632        1.30229199858524
H           -1.15695100577109       -0.04226204472337       -0.00032555585398
H           -2.71921605229538        0.04089888330099       -0.80344252934064
H           -2.09805147988206       -2.27809941473089       -0.29393952597622
H           -3.60167591504697       -1.79260892005066        0.49047348418139
H           -8.80107443900005       -5.95588792371755        5.04585119805327
H           -7.71870643421433       -6.87510627970659        4.00817116905200
H           -7.01219279278631       -5.44537295228562        6.59789055568699
H           -5.80184743216492       -6.01486387956187        5.44399686229718
H           -6.04695731638427       -7.68660293280969        7.17352025292997
H           -6.78057418472553       -8.35556949292662        5.71461093842422
H           -9.03870521018878       -7.80163466178976        6.56810165602247
H           -8.31912822849324       -6.98129987702495        7.97844738458215
H           -6.66985998548842       -3.50383041859928        5.37651190296812
H           -8.43515341509297       -3.63005857625655        5.40545915100659
H           -7.74998718287358       -1.36045995176840        4.75557560814287
H           -6.82260441022217       -2.02399178872824        3.38421178717051
H           -8.96089991390379       -1.17806431212412        2.59365672359930
H           -9.83244318866511       -2.24575949437606        3.70287966376350
H           -7.90983768525137       -3.11300798686818        1.50037199181505
H           -9.66953209959215       -3.29082556893285        1.45276839405055
H           -8.73253659313770       -5.43042470512667        2.15005522305761
H           -9.60895299923120       -4.69168279935125        3.47214980346524
H           -4.76136799260486       -4.51793350136962        6.92249960230135
H           -4.21277879714430       -6.16078919388364        7.24675337961005
H           -2.77309243811919       -5.30340507693027        9.10375339993286
H           -3.41174909168152       -3.68146845750977        8.82430584208802
H           -5.07306785018846       -6.14838490912432        9.50618820071899
H           -5.70534577038454       -4.51185178086954        9.29877755537158
H           -4.26206783505685       -3.74985236283199       11.22442271618348
H           -5.45879866127665       -4.98882587624015       11.68864881213992
H           -1.82069527308940       -6.90254216637525        6.49135434382096
H           -1.38559334379881       -5.73597835685232        7.70533295135637
H           -0.58179270565974       -5.30919175677734        4.82341728105411
H            0.43125120749558       -6.22667367818660        5.93812652416470
H            0.94584485187323       -4.34021570961548        7.22985332485248
H            0.71556301925887       -3.57955563726237        5.66002134448758
H           -0.64966659806783       -2.23325417185501        7.00236957707378
H           -1.08173702811886       -3.54988618424840        8.07791375503878
H           -2.97278179568423       -2.82207027725806        6.69877619863542
H           -2.06947754608430       -3.20124454595024        5.20872410644313
N           -4.58868969204942       -2.12605366484840        4.91121421766855
H           -5.30727936234123       -1.51214306653129        4.53660063813764
H           -3.75710706366066       -1.56809670151307        5.07845966892519
H           -4.91751042339804       -2.46948745013026        5.80917235301498
N           -4.97602279601152       -3.07403349134650        2.10864672858015
N           -5.52284261681119       -2.53111739846371        1.27918036825148
116
 energy: -148.614534736299 gnorm: 0.004700488268 xtb: 6.5.1 (b24c23e)
N           -2.46095958341049       -3.40839755114772        2.30322501272855
C           -2.17818063430615       -4.41367807758119        1.30301241992947
C           -2.50897533386468       -5.80379858430469        1.81915895784271
N           -3.86032174569024       -5.82054056866380        2.36359795555709
C           -4.88236914176071       -5.89205964497974        1.33618380688540
C           -6.25638533417266       -5.56090655868675        1.94406823058899
N           -6.18423470982382       -4.81960806008653        3.18755585089363
Mo          -4.16259782414307       -4.02899787447111        3.45265128700001
N           -3.32757474690025       -5.20050964888507        4.89925536929640
C           -3.25275888977897       -6.61096905718452        4.57910039980239
C           -4.02435500834074       -6.92140539292603        3.30329680075513
H           -3.67608727296832       -7.23910143709463        5.38417574585355
H           -2.20882849142049       -6.94496230582312        4.44415114669490
H           -5.08597710427511       -7.00021594091170        3.53516734886015
H           -3.68335035541453       -7.87021626695058        2.85983078644148
H           -6.80871169609201       -4.99312406960427        1.17735100912649
H           -6.80856598073885       -6.50511680716767        2.09326681279386
H           -4.64257211409562       -5.15647594425108        0.56566865115990
H           -4.90339300158857       -6.88984645188902        0.86723412309749
H           -1.11755826351284       -4.41752473559664        1.01488567304161
H           -2.75564507895564       -4.23136091520645        0.37766073134417
H           -1.81729774034638       -6.03270726443839        2.63187696922669
H           -2.38941560013723       -6.55743099880028        1.02529673995405
C           -1.95674515661634       -2.09863973714616        1.87808142673957
C           -0.40723432731807       -2.09467509450992        1.74749695775904
C            0.37923746588926       -2.69158982509411        2.90922997883767
C            1.87318138716755       -2.66681506583530        2.57746430412678
C            2.75361415430460       -3.31148210849547        3.63376780698553
Cl           2.45955456684337       -5.07020427310511        3.72506161793622
C           -2.40863343064244       -1.05862478741639        2.91358917801016
C           -2.08783256314626        0.39080951512813        2.56077666532583
C           -2.71798870696360        0.75500961070313        1.22298724116670
C           -2.21825646247159       -0.19298459979375        0.14221409843034
C           -2.51681272428424       -1.64913480540171        0.49583354329265
C           -7.49084122399512       -4.72739360207909        3.82626478010315
C           -7.76938950190506       -6.01921542194944        4.66792862063252
C           -6.79492942175774       -6.21019998872387        5.82201574482213
C           -6.84646756847869       -7.60648338679895        6.44699217591383
C           -8.14153170348072       -7.82544307133938        7.21184825166929
Cl          -8.11137271496760       -9.39090207779174        8.07719542560033
C           -7.56596837538836       -3.51682863733845        4.77380202324119
C           -7.69883305612930       -2.17879443674086        4.04758680250675
C           -8.92594887991281       -2.14158567762258        3.14691067895989
C           -8.80663070834404       -3.27247210834003        2.13551904106226
C           -8.71361910400617       -4.60309975649146        2.87243018643996
C           -2.77341156625069       -4.92258740722487        6.23745509143645
C           -3.92137658271719       -5.09502526540409        7.26998151762867
C           -3.64669020678026       -4.72064598347803        8.72435646275165
C           -4.85015820485729       -5.06040689510737        9.60452769519781
C           -4.60363165162863       -4.74904411385664       11.07173274482231
Cl          -3.29023727596488       -5.76474421191838       11.73350960553245
C           -1.59360851942117       -5.83977484587924        6.64385575897721
C           -0.33778752786292       -5.44120871599695        5.87869196189119
C            0.20530667890420       -4.12739130901808        6.44423038841022
C           -0.92936890085618       -3.27914761620590        7.02234189154249
C           -2.23322062920205       -3.47220016654704        6.24977331656449
H           -0.13370853257398       -2.62928579114749        0.83490784773928
H           -0.08014526711081       -1.06488298957168        1.60882535241870
H            0.05208372239177       -3.71592335378623        3.08925317026904
H            0.20043159097231       -2.11326516793867        3.81750571295904
H            2.04119611866642       -3.17274402446365        1.62356993026120
H            2.19992916823022       -1.62884335055413        2.46383167249894
H            2.55637288878071       -2.90590249768636        4.62680654981651
H            3.81038436188972       -3.18905475677762        3.39373128382810
H           -3.49397405721100       -1.15253437488750        2.97312805529440
H           -1.96455837002413       -1.31173881687601        3.87887336348530
H           -1.00974890301138        0.55266504806266        2.51707461078428
H           -2.47972782900276        1.04339772690693        3.34597775530760
H           -2.47732584560076        1.78696408988428        0.95986025252663
H           -3.80333651647330        0.66780894976680        1.29993494341776
H           -1.14630498121947       -0.04859496728658       -0.00763498268396
H           -2.71091979725151        0.04015016484490       -0.80525435677400
H           -2.10201137676389       -2.28050535354264       -0.29315865881993
H           -3.59865630722611       -1.78385068205419        0.49764946467627
H           -8.79122515620841       -5.97716815077449        5.04898162212856
H           -7.70726987128086       -6.88119196645000        3.99996006031894
H           -7.00528839997967       -5.47897294242489        6.60533852928604
H           -5.79193137249683       -6.01708935270554        5.43967532448747
H           -6.01103543978730       -7.71926564728299        7.14184447450683
H           -6.74369506190181       -8.37306764455953        5.67559481741074
H           -9.00435996606908       -7.85495488131223        6.54891708309314
H           -8.28491649352944       -7.05475896515343        7.97074039642978
H           -6.66954929335816       -3.51541409201294        5.39517601931546
H           -8.43445393872659       -3.64696411825149        5.42450498634861
H           -7.75112178454380       -1.37119011147296        4.78491714291539
H           -6.83077200464342       -2.02894681199363        3.40615454507642
H           -8.97667318161117       -1.17952431927939        2.63188598192668
H           -9.83783282737096       -2.25913189149530        3.73829581999249
H           -7.92056995868133       -3.10412996363508        1.52312508817377
H           -9.67908643482100       -3.28808739158045        1.47803851094067
H           -8.73848434863421       -5.42926565754508        2.16330127992692
H           -9.60900621201926       -4.69626997673725        3.49264557272279
H           -4.77076437249101       -4.50557647428985        6.91174348061662
H           -4.21919162303619       -6.14507772832319        7.24864328958371
H           -2.78853938867560       -5.27372853745377        9.10446979426473
H           -3.42886043131232       -3.65454849959377        8.81361236150740
H           -5.09032404840981       -6.12028748720645        9.49935789359482
H           -5.72286613066805       -4.48496647742884        9.28268915197610
H           -4.29533042789790       -3.71286097746536       11.21308899715477
H           -5.48657589380564       -4.95753605005013       11.67608178848805
H           -1.83234939294112       -6.89106349953906        6.49837113844289
H           -1.39608311302962       -5.72011789377138        7.70825456058639
H           -0.58852660829420       -5.30835644866936        4.82495940415201
H            0.42200577419472       -6.22198355689097        5.94496018483240
H            0.94023733508296       -4.32969829145800        7.22629667565404
H            0.70950836444525       -3.57633448843640        5.65314054603217
H           -0.65151019466333       -2.22143442250198        6.98983420931044
H           -1.08544331100356       -3.53188117661046        8.07234746879165
H           -2.97692539439201       -2.80884673058815        6.69335449836267
H           -2.07573105685962       -3.19175352847392        5.20266559772050
N           -4.58898114966954       -2.11215118377363        4.90458307073364
H           -5.30143150604586       -1.49501393031227        4.52248899920303
H           -3.75788975914154       -1.55565630911068        5.08032185395991
H           -4.92935478909745       -2.45255042395737        5.79967214056615
N           -4.97462633313572       -3.05886339587166        2.11314261283415
N           -5.52776866696197       -2.49969715296858        1.29792975643666
116
 energy: -148.614771637440 gnorm: 0.003831108488 xtb: 6.5.1 (b24c23e)
N           -2.46105359368430       -3.40617319198484        2.30409192734994
C           -2.17984686380359       -4.41119310108311        1.30251280504156
C           -2.51467657892967       -5.80084854512072        1.81671008011699
N           -3.86509791030985       -5.81167026648216        2.36339940633800
C           -4.88741434260158       -5.87799024976526        1.33559308706425
C           -6.26071862396505       -5.54928175579854        1.94557253346121
N           -6.18585161868530       -4.81198212850936        3.19112058462515
Mo          -4.16361863505894       -4.01802612458615        3.45301744332517
N           -3.33265263427688       -5.18973938709402        4.89652850110928
C           -3.25970406855519       -6.60184929469582        4.57906975093715
C           -4.03095458003136       -6.91267838306773        3.30293688990378
H           -3.68481062135622       -7.22682004445281        5.38502138460223
H           -2.21631007336900       -6.93663206361036        4.44601637653759
H           -5.09264700267542       -6.99084965109673        3.53360796172256
H           -3.69007407005114       -7.86180440064994        2.86017758212971
H           -6.81495524442059       -4.97971615699061        1.18154916964138
H           -6.81209271302489       -6.49438283835799        2.09238036559755
H           -4.64749249664976       -5.13744733598041        0.56987529381230
H           -4.90879957702658       -6.87280901521075        0.86037860996207
H           -1.11960746748468       -4.41695145720424        1.01436667095756
H           -2.75750563101860       -4.22675843781436        0.37813018636968
H           -1.82228118539772       -6.03579794927448        2.62718830901372
H           -2.40053927181647       -6.55284766084684        1.02032660802268
C           -1.95015245436831       -2.09810227561798        1.87989714642179
C           -0.40096022270299       -2.10201949967879        1.74956769038939
C            0.38101045838886       -2.71127322582251        2.90865481964057
C            1.87450289667183       -2.70520491347318        2.57477866684254
C            2.75041665156983       -3.35299097880124        3.63327878135485
Cl           2.44284220119252       -5.10828229631331        3.73249854813364
C           -2.39739294599148       -1.05511036267032        2.91443621504442
C           -2.07271101667398        0.39288380367339        2.55843254117905
C           -2.70180003955574        0.75757684501988        1.21995217697713
C           -2.20634869842533       -0.19429419903540        0.14082427759747
C           -2.51114021765673       -1.64768557697214        0.49862154846250
C           -7.48849636121027       -4.73151105088394        3.83757170629693
C           -7.75923988631526       -6.03170402922036        4.66906166686146
C           -6.78112335418036       -6.23002850871939        5.81873046755365
C           -6.81447058432297       -7.63795865225534        6.41851281089336
C           -8.10421218009813       -7.88664480750379        7.18361882794124
Cl          -8.05365808244025       -9.46889876682327        8.01525564049147
C           -7.56411289962010       -3.52772220909099        4.79373720412507
C           -7.70158733936830       -2.18657410214655        4.07330266121190
C           -8.93524173198717       -2.14830923771509        3.18141581206142
C           -8.81260324689862       -3.27051357207695        2.16027591477693
C           -8.71651741704294       -4.60465546075325        2.89037376983818
C           -2.78024348908276       -4.90900583790375        6.23476331716575
C           -3.93048810594845       -5.07605062087724        7.26531382269415
C           -3.66167719624890       -4.69168829487870        8.71807804530801
C           -4.86909887312216       -5.02827320506027        9.59409673248263
C           -4.63109205337711       -4.71063099322882       11.06138303649932
Cl          -3.31641807434526       -5.71750205400969       11.73320161593509
C           -1.60318542247201       -5.82705918444894        6.64634327090355
C           -0.34581441447328       -5.43428103838899        5.88094250852057
C            0.19966317115464       -4.11926374828373        6.44112552565239
C           -0.93328563189419       -3.26610647407239        7.01531461032076
C           -2.23753580282234       -3.45948607444775        6.24356949543807
H           -0.12989518986721       -2.63259678459042        0.83384249827781
H           -0.06722459382148       -1.07342537956328        1.61740065761789
H            0.04125513704744       -3.73162925407216        3.08742851388955
H            0.21047450825617       -2.13237390258281        3.81813991359095
H            2.03538516730447       -3.21909347829202        1.62404249224378
H            2.21294550646965       -1.67196134424992        2.45442346321307
H            2.55794458676639       -2.94133276330236        4.62473947015420
H            3.80798153085221       -3.23931906713128        3.39171063497312
H           -3.48284351125167       -1.14576212253949        2.97522696071152
H           -1.95312831067505       -1.30667957123352        3.88008759542819
H           -0.99417468248137        0.55140325888704        2.51389623830518
H           -2.46251391783288        1.04814440511942        3.34239779035732
H           -2.45666142860895        1.78822004726641        0.95564330150459
H           -3.78768133956437        0.67514396656521        1.29719114606408
H           -1.13420505149348       -0.05469298830516       -0.01043438763094
H           -2.69938502466255        0.03828674302848       -0.80663488930008
H           -2.10400212069673       -2.28329240148971       -0.29019527330559
H           -3.59353269637690       -1.77529946114969        0.50574983723778
H           -8.78047141813938       -5.99835041370569        5.05247214534585
H           -7.69470942619637       -6.88695507151888        3.99268988960867
H           -6.99857918549095       -5.51446176987742        6.61462729732451
H           -5.78136808368069       -6.01852800492482        5.43807481022060
H           -5.97525545873154       -7.75493347280257        7.10821489312789
H           -6.70588627870995       -8.38903572475243        5.63243010080577
H           -8.96912071320631       -7.91128985196894        6.52315988777678
H           -8.25252937511745       -7.13283812020339        7.95839780363448
H           -6.66654493974066       -3.52796080053832        5.41423185160366
H           -8.43140606712737       -3.66300366791003        5.44540452336272
H           -7.74738338840320       -1.38064782318489        4.81263839988182
H           -6.83831898058028       -2.03666406688920        3.42547769781060
H           -8.99831599075253       -1.18182291237573        2.67609965638798
H           -9.84160228334284       -2.28007792061796        3.77855772542182
H           -7.92563765914922       -3.09511561450243        1.55131770971307
H           -9.68331542065155       -3.28384528712221        1.50086198610414
H           -8.74532841062388       -5.42922688548063        2.17920514475442
H           -9.60868662061048       -4.69912471867277        3.51549100982309
H           -4.77970981217239       -4.49044593499494        6.90030714293973
H           -4.22636326904138       -6.12680029401898        7.25057405479399
H           -2.80420679128746       -5.24113262381554        9.10501923281865
H           -3.44584484018596       -3.62474116158660        8.80188346272287
H           -5.10796660483976       -6.08877358871824        9.49190649767606
H           -5.74050874121389       -4.45479888400429        9.26518609453368
H           -4.32884120050929       -3.67242163569103       11.20053015703669
H           -5.51613438792813       -4.92128382996702       11.66192274986164
H           -1.84419448618288       -6.87830873021345        6.50441694184978
H           -1.40715064511166       -5.70343229621827        7.71061495516885
H           -0.59538165817125       -5.30535383954840        4.82646907712029
H            0.41226765318962       -6.21636442456972        5.95103443162297
H            0.93424310254187       -4.31954622447595        7.22401009936000
H            0.70480679517575       -3.57246246471999        5.64781545854105
H           -0.65303376752542       -2.20918078504007        6.97788360806260
H           -1.08987144242094       -3.51354509828125        8.06653407227749
H           -2.98019168418573       -2.79402353186736        6.68584055639643
H           -2.08015619999597       -3.18188284374836        5.19569751830478
N           -4.59006119093769       -2.09756712329903        4.89853860784641
H           -5.29551712308183       -1.47815848392277        4.50686309796399
H           -3.75939226480180       -1.54286370317045        5.08215289746010
H           -4.94265793462829       -2.43325095040401        5.79076036478543
N           -4.97774379693888       -3.04347809368204        2.11907283324568
N           -5.53015330098052       -2.47081990718885        1.31356869891420
116
 energy: -148.614972514010 gnorm: 0.003601263652 xtb: 6.5.1 (b24c23e)
N           -2.46158395260170       -3.40361971975431        2.30414995569443
C           -2.18374917168971       -4.40798692578913        1.30036539460403
C           -2.52073616432032       -5.79776230044235        1.81215225564634
N           -3.86959466717253       -5.80481490644086        2.36192398311998
C           -4.89316021864592       -5.86636766184452        1.33527891884792
C           -6.26538720863175       -5.54041097716582        1.94797092647113
N           -6.18821509523234       -4.80475135737827        3.19424181859280
Mo          -4.16478302853336       -4.01083811318630        3.45059693894650
N           -3.33718015861638       -5.17933149868432        4.89428170104930
C           -3.26419052296750       -6.59215891916451        4.57845553895721
C           -4.03620379867158       -6.90441004776533        3.30272145855510
H           -3.68896352319990       -7.21585395010710        5.38519528463464
H           -2.22082104973301       -6.92639541126518        4.44562806337248
H           -5.09764966342090       -6.98159505690861        3.53383371541479
H           -3.69621308280541       -7.85442961919709        2.86113153823075
H           -6.82316838941591       -4.97146425105467        1.18557201974531
H           -6.81488531012864       -6.48678104579418        2.09478586657319
H           -4.65419122346805       -5.12173770008444        0.57344499528656
H           -4.91479398920396       -6.85860120239708        0.85474980140099
H           -1.12413804570310       -4.41460953220765        1.00986599332817
H           -2.76316750728102       -4.22135114320149        0.37713170532826
H           -1.82642332474688       -6.03834271536970        2.61944145828621
H           -2.41220631460051       -6.54778946453372        1.01292471689162
C           -1.94393941667499       -2.09736699520131        1.88177651306883
C           -0.39452069851990       -2.10877018442518        1.75308406763677
C            0.38255116879207       -2.73136259302187        2.90873985119548
C            1.87503283175163       -2.74276430862456        2.57156861644105
C            2.74774539067510       -3.39495401694669        3.63011457601736
Cl           2.42508588117478       -5.14680265177303        3.73657298792835
C           -2.38668512031385       -1.05186830540233        2.91591613111224
C           -2.05938657167717        0.39533635137190        2.55737141263202
C           -2.68700280024431        0.75985493401054        1.21803811356432
C           -2.19284892189270       -0.19494805595315        0.14076413094315
C           -2.50383630615284       -1.64599479543581        0.50112065351485
C           -7.48678354463341       -4.73561674856560        3.84905638563952
C           -7.74978909374969       -6.04357057633051        4.67103530821474
C           -6.76809967832899       -6.24885727682119        5.81626131823368
C           -6.78337300309981       -7.66820122719760        6.38968274064305
C           -8.06877061988100       -7.94734974293596        7.15206456969139
Cl          -7.99870172364954       -9.54626984157341        7.94883745699189
C           -7.56113222272664       -3.53847158472505        4.81391720133262
C           -7.70374175636426       -2.19425866775730        4.09956993355744
C           -8.94426659625689       -2.15541947101307        3.21718047802099
C           -8.81783319751883       -3.26782086391474        2.18566384614426
C           -8.71980444673848       -4.60595785206270        2.90823489338815
C           -2.78665299091712       -4.89533938404304        6.23243394418032
C           -3.93943695513646       -5.05596733641151        7.26087865792998
C           -3.67605573636857       -4.66183288043194        8.71207852481475
C           -4.88742927274051       -4.99472842966798        9.58411596810795
C           -4.65800805770944       -4.66998957615411       11.05114547391047
Cl          -3.34406172803684       -5.66964006299847       11.73445813513692
C           -1.61278349807076       -5.81455777887594        6.64926448864485
C           -0.35349430619950       -5.42719019188267        5.88418714274313
C            0.19446167121464       -4.11161879322494        6.44045559919022
C           -0.93715144639579       -3.25361590676677        7.00987618391830
C           -2.24089180005187       -3.44696874075845        6.23717463810790
H           -0.12519876028698       -2.63402520371458        0.83390885287784
H           -0.05490696114105       -1.08118058420378        1.62939496313433
H            0.03080631989709       -3.74789993734118        3.08516693985210
H            0.22030956796415       -2.15297584095238        3.81992132665040
H            2.02781196088143       -3.26273263194319        1.62300598402251
H            2.22428814206778       -1.71387102136103        2.44563913636444
H            2.56225212285691       -2.97798753272590        4.62046750090098
H            3.80557307640219       -3.29131018701429        3.38493017270144
H           -3.47230594134541       -1.13981856917534        2.97846076923168
H           -1.94144971383944       -1.30225610999385        3.88142712964719
H           -0.98043430763595        0.55207040268466        2.51285458871574
H           -2.44833811966350        1.05226196233568        3.34038135478507
H           -2.43926838677215        1.78976698275233        0.95222555720596
H           -3.77340242955926        0.68045349239246        1.29477974353060
H           -1.12002527328195       -0.05961348021543       -0.00797818108823
H           -2.68354143813323        0.03772869983890       -0.80768029138250
H           -2.10217594449075       -2.28480610064202       -0.28679137655461
H           -3.58642526970465       -1.76725618722317        0.51122000667750
H           -8.77043399920715       -6.01794907587364        5.05671180907164
H           -7.68367767979055       -6.89270621694489        3.98696590081009
H           -6.99317306950668       -5.54975437771262        6.62466368751857
H           -5.77155103870937       -6.01868676563946        5.43831963225414
H           -5.94116479197589       -7.78975421975955        7.07497908991035
H           -6.66815436332489       -8.40247375658378        5.58862983497278
H           -8.93454603403757       -7.96735119689812        6.49244813653778
H           -8.22374530999112       -7.21133118523575        7.94266495980693
H           -6.66114798878551       -3.54145924599862        5.43155265640595
H           -8.42625756488427       -3.67872909631283        5.46800969255526
H           -7.74200084458784       -1.38947372880642        4.84041306257407
H           -6.84552745011225       -2.04489769095742        3.44451184021983
H           -9.02068036128744       -1.18433890391710        2.72295567459127
H           -9.84487785084788       -2.30270431237236        3.81976465079615
H           -7.92825696394858       -3.08647930250291        1.58153856572041
H           -9.68573271378720       -3.27748091070201        1.52242133168025
H           -8.75173873275997       -5.42852853678365        2.19450225686409
H           -9.60920613470996       -4.70248363598765        3.53762599229254
H           -4.78782468243377       -4.47311229651738        6.88929294718140
H           -4.23472509297859       -6.10699033342428        7.25260892136070
H           -2.81943990201633       -5.20793300767110        9.10576110783158
H           -3.46178257249272       -3.59410488321789        8.79024967539076
H           -5.12497748734482       -6.05588037273377        9.48547305444396
H           -5.75748794963821       -4.42345033012559        9.24781903143286
H           -4.36000776502043       -3.63024666809051       11.18735157687868
H           -5.54567670917564       -4.88085920470914       11.64760594387719
H           -1.85585219113711       -6.86564321329250        6.50999056656035
H           -1.41850734522879       -5.68781212595733        7.71350480756377
H           -0.60180551249110       -5.30106054630010        4.82914771939142
H            0.40253577656292       -6.21083697714077        5.95752537943075
H            0.92772034162270       -4.31083198142279        7.22484040534748
H            0.70177809796699       -3.56879178160743        5.64585094091073
H           -0.65451198522706       -2.19761309400236        6.96845134000490
H           -1.09572936657124       -3.49651318699506        8.06176595552864
H           -2.98265241642720       -2.77867338036919        6.67648268310330
H           -2.08186980487203       -3.17320109110755        5.18861108838123
N           -4.59159728435795       -2.08412358649695        4.89192951967024
H           -5.28929817458374       -1.46314108782473        4.48938970372506
H           -3.76067306974082       -1.53226516689593        5.08229121833179
H           -4.95654129014776       -2.41323054882313        5.78161233665067
N           -4.98018809181773       -3.02954460430577        2.12268828048250
N           -5.53793318716080       -2.44321817021417        1.33037236309014
116
 energy: -148.615141633620 gnorm: 0.002844395674 xtb: 6.5.1 (b24c23e)
N           -2.46318647037406       -3.40119467797345        2.30287820456502
C           -2.18899107501162       -4.40418031899409        1.29644568565537
C           -2.52680415848610       -5.79409697068059        1.80648885839908
N           -3.87379671348074       -5.79825796796908        2.36039181372318
C           -4.89902597166511       -5.85825175455414        1.33558478889462
C           -6.27007477217366       -5.53549679526704        1.95138429958208
N           -6.19051994749905       -4.79970988789275        3.19744433214503
Mo          -4.16714090547727       -4.00301935444471        3.44939316807386
N           -3.34036852052790       -5.17038627637564        4.89212235805287
C           -3.26535337426668       -6.58298227895582        4.57699272469826
C           -4.03929471711673       -6.89667459990729        3.30238964141115
H           -3.68764161327607       -7.20768851466778        5.38425792479746
H           -2.22144761951567       -6.91531852903976        4.44254809504929
H           -5.10017854792820       -6.97334923847559        3.53553882181636
H           -3.70038287317284       -7.84758758781858        2.86165746482095
H           -6.83223948216698       -4.96872663825220        1.18986857008308
H           -6.81692996418437       -6.48335768461180        2.09996055152596
H           -4.66215431817684       -5.11117744150947        0.57578981459513
H           -4.92053888706249       -6.84901800142484        0.85195790504129
H           -1.13013407408365       -4.41100278954553        1.00219917093776
H           -2.77115578033207       -4.21557760933073        0.37459181954723
H           -1.82988896246196       -6.03893084244118        2.61034780409554
H           -2.42335034537947       -6.54256076868820        1.00494377876249
C           -1.93880465495895       -2.09685890105796        1.88314652148847
C           -0.38872162644872       -2.11447901437160        1.75695611036083
C            0.38357628116298       -2.75022587703722        2.90863782566427
C            1.87473341749937       -2.77707584650321        2.56742487054357
C            2.74521349684675       -3.43496207839351        3.62419020725162
Cl           2.40631778187197       -5.18349347776593        3.73632927029738
C           -2.37743551262272       -1.04954441638220        2.91744622136105
C           -2.04852318744297        0.39748688073302        2.55788607016061
C           -2.67430210759624        0.76191023861826        1.21781020345259
C           -2.17854991097705       -0.19421253541744        0.14221178301266
C           -2.49578280571648       -1.64371264711140        0.50267293171891
C           -7.48568109007992       -4.73989944819155        3.85971439739996
C           -7.74225126729913       -6.05418833358563        4.67347981014839
C           -6.75707003907166       -6.26614763216015        5.81437756567031
C           -6.75514481432007       -7.69544086975935        6.36262379261603
C           -8.03742239701008       -8.00389413419829        7.11889537915517
Cl          -7.95021065233583       -9.61778206218949        7.88245418682860
C           -7.55752931133972       -3.54920167352977        4.83301825183969
C           -7.70571464695984       -2.20181758361252        4.12566429694366
C           -8.95181595984495       -2.16171897976169        3.25148805438220
C           -8.82282818093551       -3.26459505331730        2.21045673020544
C           -8.72295639841701       -4.60716192624881        2.92456788354485
C           -2.79207456435272       -4.88296708102776        6.23033350127638
C           -3.94758365445038       -5.03657744080443        7.25662124569185
C           -3.68894033417831       -4.63332688496627        8.70633714410103
C           -4.90397755267912       -4.96178101732883        9.57502845197823
C           -4.68247696802985       -4.62903154634149       11.04137758223010
Cl          -3.37125508735946       -5.62359508922884       11.73703087615503
C           -1.62163014752220       -5.80349648744219        6.65258616899716
C           -0.35994962879297       -5.42080693941135        5.88883573630127
C            0.19019218010333       -4.10527901741564        6.44288329541456
C           -0.94079831803070       -3.24269899423412        7.00646173218664
C           -2.24297295736568       -3.43588866139791        6.23087786910897
H           -0.12038911477106       -2.63346401079279        0.83409549268954
H           -0.04428263096998       -1.08755291669699        1.64285012055538
H            0.02102790613838       -3.76330026938981        3.08218537318552
H            0.22949362094874       -2.17324768875680        3.82195957593746
H            2.01918280308102       -3.30070841113235        1.61978056718560
H            2.23340461995474       -1.75191670940557        2.43776129495872
H            2.56809689780552       -3.01396508932511        4.61409038347542
H            3.80289034289900       -3.34236523558111        3.37414008621288
H           -3.46316204692816       -1.13527351951703        2.98185999093400
H           -1.93087777230502       -1.29974832491030        3.88232655253845
H           -0.96926180218729        0.55374731499957        2.51436290015375
H           -2.43770657606322        1.05486967873425        3.34043282697716
H           -2.42597608459904        1.79171132340914        0.95110501360304
H           -3.76099236645756        0.68325990484592        1.29302360685582
H           -1.10453341399235       -0.06247013512645       -0.00072034741369
H           -2.66426718462696        0.03975568912902       -0.80820265446682
H           -2.09678528856073       -2.28429453267282       -0.28440397862040
H           -3.57859484114679       -1.76019724647190        0.51318522152329
H           -8.76206059078662       -6.03403130652616        5.06168023683765
H           -7.67636857682483       -6.89825219299260        3.98306357340831
H           -6.98919478832418       -5.58319288975315        6.63432814405390
H           -5.76374958826745       -6.01845172972268        5.43963985104936
H           -5.91127804683505       -7.82030636267002        7.04511975804154
H           -6.63201320591043       -8.41320687797778        5.54808763144527
H           -8.90267230696429       -8.01998410759633        6.45842246466066
H           -8.20048534032740       -7.28563426845607        7.92401335026759
H           -6.65436406549093       -3.55520325203488        5.44618962638432
H           -8.41947129771678       -3.69454408510553        5.49056845482174
H           -7.73771954538777       -1.39888784364249        4.86871330925635
H           -6.85212088821021       -2.05159997549630        3.46444250023491
H           -9.03882715978038       -1.18667004859441        2.76789671526990
H           -9.84752904774738       -2.32195988735557        3.85788937251292
H           -7.93090350427726       -3.07856153210000        1.61027135280024
H           -9.68848219230627       -3.26996103348177        1.54393097715839
H           -8.75663168228812       -5.42657424736826        2.20709593045364
H           -9.61012310545528       -4.70745970794240        3.55691688335238
H           -4.79450295248942       -4.45535978281883        6.87894997810012
H           -4.24351205270882       -6.08744339482852        7.25430787828991
H           -2.83339977648123       -5.17657208534208        9.10638250356840
H           -3.47557000133869       -3.56498957269371        8.77888155684632
H           -5.14046788589769       -6.02357947190903        9.48078687825803
H           -5.77265061509615       -4.39277328411180        9.23135339697836
H           -4.38642777708048       -3.58830230442347       11.17371500423510
H           -5.57311096154955       -4.83780184602106       11.63402736679145
H           -1.86640383189760       -6.85437863937038        6.51511868008314
H           -1.42967587768360       -5.67443781747315        7.71696932025371
H           -0.60659187314439       -5.29626081014904        4.83329045078383
H            0.39390485608045       -6.20613079471209        5.96494713073611
H            0.92084666779588       -4.30431806178252        7.22974520802214
H            0.70119105488907       -3.56606934452782        5.64813290040893
H           -0.65586930857333       -2.18759717985688        6.96208481937692
H           -1.10287738357394       -3.48178397597222        8.05856822730163
H           -2.98427151576988       -2.76437165858798        6.66564359200183
H           -2.08063395788495       -3.16653690374503        5.18179075756824
N           -4.59382963111861       -2.07065942464287        4.88580600440592
H           -5.28320974866431       -1.44820679529293        4.47211759777405
H           -3.76158504400400       -1.52323746991840        5.08226137139484
H           -4.97093373766363       -2.39297118354077        5.77272300824118
N           -4.98570460537605       -3.01694579724605        2.12652636667036
N           -5.54337835359423       -2.42201853387969        1.34187778985308
116
 energy: -148.615308374995 gnorm: 0.002519218595 xtb: 6.5.1 (b24c23e)
N           -2.46454078831959       -3.39798451597212        2.30012645202325
C           -2.19551145930062       -4.39960688349412        1.29111465977725
C           -2.53238820463248       -5.78986118541938        1.80024555138338
N           -3.87737627452357       -5.79343065835247        2.35858901177634
C           -4.90497829954511       -5.85363569148510        1.33648744838966
C           -6.27474806077247       -5.53324430939706        1.95556628184849
N           -6.19286614734310       -4.79643614060578        3.20094382853470
Mo          -4.16947600392370       -3.99708531971855        3.44624728342396
N           -3.34329249371921       -5.16266081347863        4.89047165337714
C           -3.26384265935804       -6.57421910392770        4.57527247814015
C           -4.04012223329041       -6.89035152213954        3.30232317318872
H           -3.68194912455467       -7.20168831460406        5.38287501649211
H           -2.21876778622023       -6.90324766304761        4.43821748998549
H           -5.10025533804390       -6.96710001164127        3.53849583604455
H           -3.70192948020599       -7.84198476122096        2.86237976140216
H           -6.84124497780705       -4.96900457732708        1.19458630916403
H           -6.81896250671804       -6.48251529538935        2.10656555902397
H           -4.67082248638830       -5.10581453239602        0.57682237584544
H           -4.92652316347203       -6.84402805068265        0.85205594099922
H           -1.13775792377548       -4.40617946656358        0.99182260503390
H           -2.78137203985570       -4.20941035382956        0.37114330962575
H           -1.83244827031193       -6.03700987119285        2.60077186178918
H           -2.43298609248334       -6.53723584737804        0.99716090764464
C           -1.93415583799479       -2.09566267914455        1.88340255459530
C           -0.38323271391763       -2.11917397648699        1.76024393303543
C            0.38420152048567       -2.76824155865833        2.90745609141556
C            1.87381124559368       -2.81006710108376        2.56132207530416
C            2.74211944889556       -3.47568612688429        3.61477581402375
Cl           2.38456019149296       -5.22067678863991        3.73127227831644
C           -2.36907792280776       -1.04757070256029        2.91862045699094
C           -2.03864642386500        0.39963211129654        2.55988299072313
C           -2.66207950317638        0.76473737155054        1.21918759678490
C           -2.16303298377123       -0.19123612766978        0.14467857674434
C           -2.48681323023969       -1.63982065382604        0.50264545426862
C           -7.48515778281310       -4.74470787229863        3.87003609687387
C           -7.73670386886653       -6.06451663199602        4.67616589346729
C           -6.74747983992871       -6.28294702162361        5.81239329847053
C           -6.72769022126132       -7.72148454128166        6.33543454711288
C           -8.00761115711582       -8.06013939947583        7.08266047460404
Cl          -7.90365536346492       -9.68875638298562        7.81247359717675
C           -7.55341867693030       -3.56082346527941        4.85196986585940
C           -7.70802678497865       -2.20960943882995        4.15362528858163
C           -8.95864937072732       -2.16695454985741        3.28638570685007
C           -8.82898335718933       -3.26044374116455        2.23611995777868
C           -8.72609463139852       -4.60814057912808        2.94015512294569
C           -2.79712942634736       -4.87140432414727        6.22864766488812
C           -3.95567167041506       -5.01720163175311        7.25253512994648
C           -3.70147316712758       -4.60483322576824        8.70068588906434
C           -4.92012116517149       -4.92758157726322        9.56652175412368
C           -4.70601433398199       -4.58486744723292       11.03158473089623
Cl          -3.39943381772225       -5.57592507100297       11.74111159489972
C           -1.63041759065188       -5.79332397205043        6.65719863827362
C           -0.36551547656964       -5.41511601591901        5.89619883078372
C            0.18644437403928       -4.10003027127939        6.44933314127133
C           -0.94474927246114       -3.23276733353074        7.00523345620523
C           -2.24417956936860       -3.42583026671537        6.22475432596235
H           -0.11553182511422       -2.63125931103160        0.83347151402784
H           -0.03454279741203       -1.09275964854002        1.65635621722035
H            0.01103761684599       -3.77785241588659        3.07813371730524
H            0.23883706959813       -2.19306321684949        3.82321918253599
H            2.00940842457703       -3.33548298720374        1.61348231004317
H            2.24172190429256       -1.78836187764191        2.42956327107648
H            2.57481276075888       -3.05159357188920        4.60480092438447
H            3.79934021594767       -3.39581488316549        3.35898012705055
H           -3.45485011967316       -1.13120139144278        2.98447701301665
H           -1.92141137495338       -1.29908323557083        3.88255115717124
H           -0.95907821024123        0.55574861213114        2.51817876397675
H           -2.42860297609215        1.05651402490171        3.34254965090725
H           -2.41415792273479        1.79494162867088        0.95274282173507
H           -3.74898919733006        0.68536992575793        1.29208051837412
H           -1.08740629618340       -0.06302304704883        0.00992896483993
H           -2.64155695662541        0.04543559407135       -0.80850540610420
H           -2.08823691471821       -2.28100472812917       -0.28392170653467
H           -3.56998535406280       -1.75269136033051        0.51104257976168
H           -8.75535888819978       -6.04811888744543        5.06771707876965
H           -7.67268832211005       -6.90418609413236        3.98017588431484
H           -6.98660326740671       -5.61667742093495        6.64381527612659
H           -5.75769244188528       -6.01746301786568        5.44086362482826
H           -5.88331799962777       -7.84798823825734        7.01678188537169
H           -6.59413071712990       -8.42237178619419        5.50814493311698
H           -8.87119696374918       -8.07247799530515        6.41985929859082
H           -8.18060781590314       -7.36078781738943        7.90220865318900
H           -6.64598890333678       -3.57012485934443        5.45878759886441
H           -8.41083865826806       -3.71204931372997        5.51423789359942
H           -7.73588449543502       -1.41033081396349        4.90069138672324
H           -6.85847117952998       -2.05582430544294        3.48787175849403
H           -9.05295678186435       -1.18821680614295        2.81276337118054
H           -9.85049571882315       -2.33722306655431        3.89535465591821
H           -7.93640068688654       -3.07012289703857        1.63737974507921
H           -9.69422537381121       -3.26119549400939        1.56875044003259
H           -8.75982405724298       -5.42252428913269        2.21697638767602
H           -9.61138382444936       -4.71491785960015        3.57419617365511
H           -4.80050331069482       -4.43687871994660        6.86864971217432
H           -4.25313598310317       -6.06759135106184        7.25595976377773
H           -2.84736594549910       -5.14561952049142        9.10715274332080
H           -3.48830056025227       -3.53603991496180        8.76721288101622
H           -5.15578077038498       -5.99009553628940        9.47826362429185
H           -5.78734077699415       -4.36118133768530        9.21490268996652
H           -4.40968439396129       -3.54355792071376       11.15843533807429
H           -5.59998177518840       -4.78883162293489       11.62080831970710
H           -1.87672545873660       -6.84394777883454        6.52081926889315
H           -1.44163194910019       -5.66259209481425        7.72196174554968
H           -0.60944657059393       -5.29149755675541        4.83997074067701
H            0.38597807184869       -6.20228790535830        5.97536383720670
H            0.91284638478648       -4.29943723483175        7.24007631113756
H            0.70302692701044       -3.56448538020214        5.65554997349768
H           -0.65733246148156       -2.17856953538345        6.95865029382303
H           -1.11202196331753       -3.46826932932608        8.05723086182661
H           -2.98552542403131       -2.75059124327086        6.65322477328958
H           -2.07678356740231       -3.16168621797159        5.17524736063814
N           -4.59626549295752       -2.05786730753876        4.87929966704166
H           -5.27526500939791       -1.43242326295343        4.45350978625582
H           -3.76117277691958       -1.51727088177905        5.08183275482624
H           -4.98704804419912       -2.37154841349307        5.76342648334160
N           -4.99030112518162       -3.00583928479311        2.12793083770054
N           -5.55310167112384       -2.40260063496074        1.35292845249320
116
 energy: -148.615490767568 gnorm: 0.003927598497 xtb: 6.5.1 (b24c23e)
N           -2.46756010244449       -3.39425181953893        2.29570484664179
C           -2.20425941299026       -4.39357986724430        1.28342234504731
C           -2.53763110748648       -5.78445153101898        1.79271039951437
N           -3.88036233466696       -5.78905360720402        2.35662384502718
C           -4.91118296689366       -5.85288608532117        1.33804789690260
C           -6.27963650811100       -5.53444601607528        1.96078495379434
N           -6.19552906029861       -4.79605693625653        3.20513988300160
Mo          -4.17348148947483       -3.99147209757981        3.44427660202300
N           -3.34420230756705       -5.15561374106562        4.88892323824978
C           -3.25868606718762       -6.56559688313771        4.57299292717922
C           -4.03796882494150       -6.88473305759031        3.30240218463377
H           -3.67082556299994       -7.19738842958463        5.38086906225101
H           -2.21190390234776       -6.88967075079324        4.43216926948865
H           -5.09711540968834       -6.96255073592483        3.54264958191505
H           -3.69994011895303       -7.83669887732402        2.86295584901229
H           -6.85030469780513       -4.97280319411304        1.20039095262309
H           -6.82120707719949       -6.48497193708055        2.11482259820476
H           -4.68083173832637       -5.10626501471191        0.57611147404275
H           -4.93249156115353       -6.84434635641278        0.85568230375051
H           -1.14822664449932       -4.39902381792181        0.97718467079354
H           -2.79572730331001       -4.20216443687881        0.36674686631408
H           -1.83393985734423       -6.03161274934372        2.58993473952252
H           -2.44130271922351       -6.53131392726417        0.98887900375696
C           -1.93052888198104       -2.09411437327073        1.88297480225530
C           -0.37868829933191       -2.12313117372485        1.76323417363469
C            0.38414945483774       -2.78634821979254        2.90497533026771
C            1.87187361029732       -2.84272324997891        2.55293422290117
C            2.73805932466031       -3.51940259700810        3.60077042514119
Cl           2.35869097533694       -5.26020668630081        3.71905167935294
C           -2.36238167879410       -1.04631136093587        2.91972463703358
C           -2.03047358016693        0.40147622779387        2.56410132883483
C           -2.65078538148141        0.76854337556802        1.22285042652346
C           -2.14633430003361       -0.18549796458697        0.14894390425189
C           -2.47731395979246       -1.63386769848838        0.50148598029117
C           -7.48535176708384       -4.75028248087226        3.88013605258800
C           -7.73326045599025       -6.07482130879576        4.67914983993505
C           -6.73924498158575       -6.30033759772554        5.81008962350464
C           -6.70070707936910       -7.74708972086301        6.30740751449191
C           -7.97942831168756       -8.11763303327035        7.04056810500315
Cl          -7.85916064240748       -9.75995154167433        7.73563821876617
C           -7.54837580782279       -3.57376344137779        4.87100470990414
C           -7.71014857681202       -2.21786590249984        4.18424392545546
C           -8.96445907871580       -2.17127954696392        3.32297165231408
C           -8.83650871561763       -3.25518274332515        2.26320877238935
C           -8.72930885541011       -4.60866585556749        2.95523978546066
C           -2.80113574509222       -4.86047817174975        6.22750088424742
C           -3.96347152894174       -4.99758888700269        7.24829552177026
C           -3.71378463138563       -4.57564023899976        8.69464968249819
C           -4.93620792162963       -4.89047647041062        9.55811475283843
C           -4.72874722918189       -4.53478223435757       11.02097908335380
Cl          -3.42959644746161       -5.52435222686595       11.74665823038957
C           -1.63878864733889       -5.78416142391732        6.66341489092304
C           -0.36934279924465       -5.41011984052774        5.90758688788109
C            0.18375080082558       -4.09598831580583        6.46162809198217
C           -0.94878111745008       -3.22362831485791        7.00694201642929
C           -2.24376149823890       -3.41665606404986        6.21886749083881
H           -0.11131567755722       -2.62728875626880        0.83201504578621
H           -0.02582747445372       -1.09710706007741        1.67049720659092
H            0.00047409034050       -3.79249215092109        3.07221038413298
H            0.24840544658451       -2.21408432331089        3.82399228396995
H            1.99790148951234       -3.36695215974908        1.60319919043422
H            2.24915944520984       -1.82429800630993        2.42190753324098
H            2.58264196749076       -3.09391340654546        4.59193228456739
H            3.79437522816679       -3.45410935529964        3.33806270156076
H           -3.44812907216596       -1.12816693190712        2.98605137902020
H           -1.91413477827200       -1.30071420164981        3.88253927149594
H           -0.95065558106248        0.55780727929971        2.52527588723625
H           -2.42201405732371        1.05677571485571        3.34741907663279
H           -2.40432231751205        1.79974699374246        0.95851318869749
H           -3.73780402108863        0.68665317317507        1.29217292386905
H           -1.06878673240202       -0.06048122382720        0.02458810769522
H           -2.61534646919173        0.05548259072240       -0.80784959647867
H           -2.07708286321031       -2.27444639844531       -0.28520297597628
H           -3.56115317045878       -1.74427825756688        0.50551666253806
H           -8.75019067761484       -6.05990624302148        5.07523873945492
H           -7.67349641519185       -6.91069764843599        3.97833626639438
H           -6.98476863100129       -5.65170291619685        6.65301141882576
H           -5.75358728509846       -6.01685985246742        5.44182408146957
H           -5.85777006223743       -7.87330516481748        6.99035068832870
H           -6.55311954860294       -8.43030750527024        5.46828019221419
H           -8.83955671636065       -8.12660337169140        6.37321011491152
H           -8.16507715798222       -7.43889214489913        7.87403168846890
H           -6.63564611022063       -3.58664601027777        5.46949378871860
H           -8.39968068546200       -3.73152751252084        5.53931945323376
H           -7.73597249201930       -1.42454446051342        4.93769150509902
H           -6.86433376807378       -2.05726519067050        3.51548105812298
H           -9.06311663262586       -1.18887446529629        2.85883669122521
H           -9.85320714069468       -2.34902126780511        3.93377644781536
H           -7.94548349867560       -3.06024537649151        1.66316379630144
H           -9.70366527680231       -3.25119665982747        1.59819148682340
H           -8.76203792035533       -5.41603334286679        2.22441268778224
H           -9.61280546445496       -4.72423254142312        3.58994093557225
H           -4.80554363779822       -4.41771815800013        6.85766256173096
H           -4.26322680758934       -6.04720454743153        7.25742609532649
H           -2.86179607977424       -5.11448390558052        9.10804830596364
H           -3.49971140676957       -3.50663768004685        8.75440116099583
H           -5.17160398678618       -5.95373432609884        9.47825815491404
H           -5.80168138625857       -4.32706215438960        9.19751431479782
H           -4.42899699732803       -3.49346588870503       11.13984727251085
H           -5.62657904866154       -4.72994172295830       11.60735288433689
H           -1.88642168097227       -6.83446773463859        6.52721378477876
H           -1.45491152152517       -5.65237753579521        7.72893842905821
H           -0.60864477969546       -5.28665737067386        4.85031807141108
H            0.37950521571909       -6.19937845282771        5.99051067399572
H            0.90328292672861       -4.29646032826234        7.25846116858211
H            0.70892340977678       -3.56433331882422        5.67053955173987
H           -0.65861708777492       -2.17032846527064        6.95878018204697
H           -1.12363784944047       -3.45540896874069        8.05847974727306
H           -2.98593903190125       -2.73714421440508        6.63870421207639
H           -2.06902057812054       -3.15874785848113        5.16908999279387
N           -4.59855377014094       -2.04379421203693        4.87151137211582
H           -5.26456344435160       -1.41309260121124        4.43373281234950
H           -3.75919699916153       -1.51286724178290        5.08158613306357
H           -5.00478441689737       -2.34816246270508        5.75173603060467
N           -4.99613635302738       -2.99714795006923        2.12855097161377
N           -5.55950601835197       -2.38977251488140        1.35824989299799
116
 energy: -148.615664200832 gnorm: 0.003185703809 xtb: 6.5.1 (b24c23e)
N           -2.47007071468826       -3.38950034970309        2.29033405977305
C           -2.21406261377209       -4.38676332924449        1.27479406445541
C           -2.54206400728077       -5.77837270787684        1.78568158237474
N           -3.88262617612310       -5.78588583329521        2.35517155383162
C           -4.91689257531286       -5.85472507423538        1.34017156869386
C           -6.28407625578126       -5.53602406899394        1.96594975731869
N           -6.19737724867792       -4.79720264495511        3.20989909205657
Mo          -4.17655480798081       -3.98678811625747        3.44136854110269
N           -3.34512135732179       -5.14916581790597        4.88790745607273
C           -3.25241236115125       -6.55776966915156        4.57120691131698
C           -4.03380708485734       -6.88083487275166        3.30288676903749
H           -3.65886673865984       -7.19339819131867        5.37934828982478
H           -2.20372505423026       -6.87613400660379        4.42751185571922
H           -5.09204338833139       -6.96101018883213        3.54653492544526
H           -3.69438144342172       -7.83240058271680        2.86376517211000
H           -6.85686547008746       -4.97470414500351        1.20671036806096
H           -6.82477380780325       -6.48690798460352        2.12146176788050
H           -4.69006878813794       -5.11090534218449        0.57428875783245
H           -4.93824208767271       -6.84825553281498        0.86198622493742
H           -1.16042343700650       -4.39076675172341        0.96039023631369
H           -2.81256449933652       -4.19460699013488        0.36276467056775
H           -1.83450223704957       -6.02321906848685        2.58018478146060
H           -2.44744723434590       -6.52547399855318        0.98206750451797
C           -1.92730300749608       -2.09135516617827        1.88151265100089
C           -0.37499041839100       -2.12633073520294        1.76467634812050
C            0.38351038398220       -2.80390728995565        2.90068866155105
C            1.86936492416575       -2.87532831137249        2.54238471131929
C            2.73227941056547       -3.56625674151717        3.58347815727091
Cl           2.32866534404558       -5.30210586353333        3.70093708050426
C           -2.35681701248143       -1.04484954983279        2.92028629813055
C           -2.02234500682440        0.40341023282816        2.56950115976004
C           -2.63919717036979        0.77416409516297        1.22785654084279
C           -2.13052659113215       -0.17729213053172        0.15357329538129
C           -2.46858121453953       -1.62568734133647        0.49935163696567
C           -7.48524434288524       -4.75616757665585        3.88975658318876
C           -7.73116574162486       -6.08525496501731        4.68175783577938
C           -6.73175307534568       -6.31775803215693        5.80698534149282
C           -6.67341013893549       -7.77272471536856        6.27823154663905
C           -7.95146855003387       -8.17727287426550        6.99512329475867
Cl          -7.81315906774711       -9.83455445095432        7.65302549055213
C           -7.54269334114232       -3.58753260243020        4.88976552001932
C           -7.71207259477476       -2.22636925075788        4.21621913252304
C           -8.96995309234951       -2.17442240147859        3.36051748461204
C           -8.84588565748239       -3.24917367884982        2.29120716358989
C           -8.73215904389615       -4.60879647281281        2.96992656030547
C           -2.80473526215984       -4.85042157317077        6.22686745546939
C           -3.97114457327430       -4.97879598455012        7.24419729824882
C           -3.72628901700865       -4.54645254924728        8.68844398117145
C           -4.95274609004841       -4.85124217725392        9.54986774802573
C           -4.75089279477488       -4.47983140758868       11.00968533381779
Cl          -3.46068346219644       -5.46867954845190       11.75299569023079
C           -1.64693864590281       -5.77583771417810        6.67131722306273
C           -0.37165869437270       -5.40606965128934        5.92298671984217
C            0.18166107463565       -4.09289255498530        6.47883359827289
C           -0.95310808091031       -3.21506707608166        7.01106168500776
C           -2.24253378887438       -3.40847601550928        6.21390076965888
H           -0.10840045361276       -2.62294171116165        0.82905076882185
H           -0.01755612231523       -1.10092390559691        1.68226004954838
H           -0.01110221052279       -3.80649361295951        3.06457982274714
H            0.25786913022969       -2.23478781177103        3.82318467659473
H            1.98570193552289       -3.39662902272684        1.58964491483973
H            2.25726165230473       -1.86025802437972        2.41425559521549
H            2.58920034963138       -3.14073315342655        4.57645682765852
H            3.78762930159849       -3.51630661734270        3.31407469704982
H           -3.44256058651923       -1.12480162343159        2.98542455090155
H           -1.90943552215751       -1.30345605779719        3.88233949115667
H           -0.94222166280305        0.55880725013137        2.53368006287079
H           -2.41503140049099        1.05686229282617        3.35391681460104
H           -2.39318491229879        1.80638702686579        0.96714726025929
H           -3.72639926125992        0.69038436603695        1.29358726895308
H           -1.05134788787143       -0.05568001590991        0.03818726137680
H           -2.59069636274792        0.06885738147925       -0.80629590949463
H           -2.06668265793102       -2.26524769854852       -0.28815290247937
H           -3.55323067918905       -1.73389791347762        0.49865181952237
H           -8.74614863135568       -6.07104268874061        5.08319356256729
H           -7.67647512513214       -6.91750349591928        3.97619876547375
H           -6.98371211047403       -5.68718219140513        6.66182873983566
H           -5.75052605451082       -6.01551006190721        5.44128559376802
H           -5.83328706462903       -7.89755589310410        6.96501244321021
H           -6.50836298526825       -8.43789176709701        5.42753411056444
H           -8.80713939731863       -8.18219184918429        6.32184210594623
H           -8.15196610491319       -7.52071580770075        7.84331557560654
H           -6.62416348262886       -3.60386916979077        5.47911761177589
H           -8.38711000186939       -3.75237862920711        5.56464034747414
H           -7.73743082906848       -1.44086036057806        4.97788787896403
H           -6.86963371225271       -2.05659528634036        3.54565716277009
H           -9.07054686140781       -1.18822754571161        2.90464855407389
H           -9.85633954687551       -2.35722830973976        3.97323611890988
H           -7.95931419193360       -3.04824707198834        1.68652726123173
H           -9.71778313953984       -3.24113055750572        1.63248092938208
H           -8.76339738369763       -5.40785390945257        2.23020385066149
H           -9.61374995991978       -4.73464621084319        3.60494202488565
H           -4.81038647770450       -4.39984935560210        6.84607387315490
H           -4.27283163508703       -6.02774492919075        7.25927654696829
H           -2.87707545284560       -5.08382462624965        9.10947242271624
H           -3.51033969570088       -3.47742999163860        8.74067962370613
H           -5.18856649741260       -5.91518806855892        9.48060329350299
H           -5.81619794041399       -4.29106658730798        9.17940308420540
H           -4.44560385033887       -3.43884997472902       11.11825987505485
H           -5.65269182018969       -4.66311720728252       11.59399703511934
H           -1.89567944994962       -6.82583350581656        6.53482690543530
H           -1.46953710890706       -5.64320625700290        7.73792448745635
H           -0.60404579214853       -5.28307940963033        4.86411953422039
H            0.37444362289461       -6.19744324291440        6.01129541561811
H            0.89229495685895       -4.29436091887546        7.28352811294090
H            0.71755228887733       -3.56545921144252        5.69164879817959
H           -0.65991491417018       -2.16264587318744        6.96123998450772
H           -1.13689010959303       -3.44241881085857        8.06208230592565
H           -2.98605242442517       -2.72461314491295        6.62401798252789
H           -2.05932233276062       -3.15704370598392        5.16407028862420
N           -4.60014095921171       -2.03066886192412        4.86332719509839
H           -5.24987582283479       -1.39139552536721        4.41263572379495
H           -3.75524796991730       -1.51196306800751        5.08223051893573
H           -5.02461597189325       -2.32342275774661        5.73934061460095
N           -5.00018875494214       -2.99116180902695        2.12682462824006
N           -5.56723011631737       -2.37997487745042        1.36138364439612
116
 energy: -148.615807527387 gnorm: 0.003103092972 xtb: 6.5.1 (b24c23e)
N           -2.47399301677954       -3.38478078641540        2.28482243305219
C           -2.22535451318118       -4.37901563520647        1.26497356501439
C           -2.54533790425143       -5.77186837506893        1.77803880602480
N           -3.88350727907648       -5.78385809031042        2.35389559418332
C           -4.92181019989992       -5.85942826673905        1.34294527305870
C           -6.28780769456253       -5.53957704377956        1.97158973519873
N           -6.19879301776382       -4.80083508744983        3.21535096010328
Mo          -4.17995230583808       -3.98413809747807        3.44022987239631
N           -3.34290836103494       -5.14382400322877        4.88681181557049
C           -3.24334764261801       -6.55156351051568        4.56921992907932
C           -4.02647550024835       -6.87880792490631        3.30326387238347
H           -3.64450570601102       -7.19003860733739        5.37781444672887
H           -2.19289885300509       -6.86366590559787        4.42315505186336
H           -5.08379078863642       -6.96300851211129        3.54986696891739
H           -3.68415844514959       -7.82911350618571        2.86393197855402
H           -6.86147992024674       -4.97748367414952        1.21394620318087
H           -6.82851274541767       -6.49017185482248        2.12804734349890
H           -4.69890251625917       -5.11959233022155        0.57178917163581
H           -4.94303480224446       -6.85574026080167        0.87051938220681
H           -1.17487172412794       -4.38030389248195        0.94070605467191
H           -2.83300061863781       -4.18637415218879        0.35943275697968
H           -1.83330744582216       -6.01265768986636        2.56986713988996
H           -2.45147727206433       -6.51938718434920        0.97491811758976
C           -1.92589738941509       -2.08802729290735        1.88040828663063
C           -0.37353070486986       -2.12810379865991        1.76614545273464
C            0.38138544180828       -2.82021924639618        2.89591567835833
C            1.86526654414723       -2.90311846456797        2.53268711536141
C            2.72449682058950       -3.61128625671791        3.56532536031985
Cl           2.29852180523471       -5.34177542532890        3.67580668522388
C           -2.35486328545754       -1.04384865768522        2.92132805021735
C           -2.01850430542329        0.40508221463316        2.57665191506886
C           -2.63194687187901        0.78039506327414        1.23471670224477
C           -2.11895999704399       -0.16729186724915        0.15938799873162
C           -2.46217278672367       -1.61618118448891        0.49773963453612
C           -7.48519394473798       -4.76167762920241        3.89823957798472
C           -7.73092350840613       -6.09443508189504        4.68441718702896
C           -6.72598404225536       -6.33489988980846        5.80363273196647
C           -6.65191827442512       -7.79446025576112        6.25363004159218
C           -7.93136561424896       -8.22756668566880        6.94857216332371
Cl          -7.77995270598012       -9.89266214904809        7.57714830606841
C           -7.53704171628640       -3.59963859966006        4.90539680171078
C           -7.71188178836976       -2.23382540920271        4.24402071378908
C           -8.97229840138916       -2.17613075949211        3.39249195972154
C           -8.85418610049530       -3.24385714086492        2.31565000137230
C           -8.73432658785615       -4.60823084220899        2.98269260306994
C           -2.80547286020712       -4.84280885384417        6.22661092211691
C           -3.97591041052717       -4.96400129511741        7.24025085689402
C           -3.73579666426906       -4.52138804553434        8.68211594292237
C           -4.96630715916796       -4.81404743882353        9.54199373168020
C           -4.76781939066205       -4.42619294414769       10.99797020661191
Cl          -3.48826178099016       -5.41634213325348       11.75815956054799
C           -1.65193360001677       -5.76976818402460        6.67933009249265
C           -0.37015329663710       -5.40308388399383        5.94065468845267
C            0.18208750779962       -4.09117700819761        6.50018837382958
C           -0.95583694589449       -3.20816103138832        7.01752736463899
C           -2.23892945849482       -3.40258576510345        6.21050116250341
H           -0.10756219972876       -2.61692804622348        0.82603179001849
H           -0.01162277966583       -1.10330685594822        1.69381453381244
H           -0.02195240348067       -3.82005825263837        3.05426822415752
H            0.26406036822398       -2.25678189472327        3.82288636316952
H            1.97371811700697       -3.41711177081609        1.57507839377986
H            2.26245953934886       -1.89087675646686        2.41210136886920
H            2.59275587666414       -3.18959824243627        4.56140768239794
H            3.77857580574088       -3.57427229289522        3.29034187842614
H           -3.44056518812370       -1.12307272679636        2.98370963301097
H           -1.90943137351810       -1.30688556761160        3.88307315759605
H           -0.93829004786991        0.55980375852620        2.54388065109547
H           -2.41275980661904        1.05605912385368        3.36239193854244
H           -2.38662606564891        1.81380204053996        0.97894613764267
H           -3.71918477017724        0.69423703530580        1.29670995519828
H           -1.03877356965073       -0.04769290537102        0.05109571613755
H           -2.57192543898562        0.08391810161049       -0.80273123825443
H           -2.05841323740372       -2.25396940632457       -0.29110024480769
H           -3.54750606500551       -1.72316381650777        0.49251466246498
H           -8.74357899349098       -6.07829993430227        5.09155737360866
H           -7.68325804476861       -6.92369542734970        3.97503238126781
H           -6.98052312239198       -5.71942507869282        6.66763123174295
H           -5.74916089359500       -6.01914239690521        5.44000743581508
H           -5.81760786000991       -7.91636848018269        6.94817669295974
H           -6.46840366411220       -8.44453132384270        5.39601116683285
H           -8.78035589096496       -8.23078407442875        6.26701510625178
H           -8.14753658591944       -7.59014628969164        7.80561712216814
H           -6.61380369456784       -3.61888912108342        5.48690009810387
H           -8.37529867263349       -3.77005180205791        5.58566364977078
H           -7.73750413027813       -1.45594876162383        5.01340041224186
H           -6.87181814442295       -2.05532947745283        3.57326688643221
H           -9.07177763785694       -1.18713630624534        2.94213142041635
H           -9.85737724183766       -2.36022528275917        4.00656783932564
H           -7.97352583238336       -3.03738565919378        1.70491888261079
H           -9.73208992474165       -3.23285363402628        1.66514709593367
H           -8.76505648217825       -5.39964578724860        2.23529611653969
H           -9.61406006059286       -4.74251725708607        3.61780681811340
H           -4.81283183459710       -4.38689258890259        6.83482980405641
H           -4.27857990347137       -6.01253296690465        7.26090224595680
H           -2.89013439704788       -5.05826282227329        9.11083924268014
H           -3.51649095578850       -3.45273939386104        8.72665962795624
H           -5.20425345535132       -5.87817132640159        9.48435156864233
H           -5.82711768507582       -4.25631639857438        9.16209135100473
H           -4.45422631455491       -3.38640057753938       11.09497958762958
H           -5.67329613476294       -4.59483716157405       11.58125244729449
H           -1.90103449001189       -6.81950581179292        6.54161078989718
H           -1.48235402653837       -5.63680653949848        7.74726486439692
H           -0.59381003727015       -5.28012343871077        4.87994936025548
H            0.37343322066230       -6.19622702396874        6.03499984588831
H            0.88179703246308       -4.29405293676825        7.31422826162067
H            0.73063580960810       -3.56759350103724        5.71868232185744
H           -0.65994573065176       -2.15649340378478        6.96577851540979
H           -1.14921963657692       -3.43045100490513        8.06796828757246
H           -2.98433618631624       -2.71509651679363        6.61085635070109
H           -2.04692988943010       -3.15704002901213        5.16095667590768
N           -4.60070424886037       -2.01990851219211        4.85505432174079
H           -5.23462287962682       -1.37114885044824        4.39662538518654
H           -3.75126032261904       -1.51310398736327        5.08366330401187
H           -5.04039038369279       -2.30383209420460        5.72553930682533
N           -5.00347948422625       -2.99072081936378        2.12406782337910
N           -5.56859009516552       -2.38031611146478        1.35694954520178
116
 energy: -148.615918062275 gnorm: 0.003770480228 xtb: 6.5.1 (b24c23e)
N           -2.47756252015783       -3.37970510260442        2.28056022101008
C           -2.23537942303450       -4.37176174146616        1.25708823689237
C           -2.54860603991327       -5.76534722141248        1.77259969144679
N           -3.88478852288496       -5.78035043528134        2.35347032272472
C           -4.92595489224474       -5.86057945576678        1.34530814802455
C           -6.29103219382084       -5.53752203294515        1.97522517029023
N           -6.19944966233505       -4.80202954549417        3.22063656602231
Mo          -4.18215963105603       -3.97988197368659        3.43961776999810
N           -3.34183740290195       -5.13675800375640        4.88582413023739
C           -3.23833695397675       -6.54481732152731        4.56873255159275
C           -4.02139485321841       -6.87564585278833        3.30378887177530
H           -3.63742964831744       -7.18322117247841        5.37796482950701
H           -2.18689855923238       -6.85285098103609        4.42283324569029
H           -5.07823314678545       -6.96430150973499        3.55094085958458
H           -3.67516565111927       -7.82439315397672        2.86437087720752
H           -6.86300916766349       -4.97093216984321        1.21988519338109
H           -6.83461530841397       -6.48668202595507        2.12923626707386
H           -4.70487924538273       -5.12450816838997        0.56989444121586
H           -4.94770575699986       -6.85915132687299        0.87779748355344
H           -1.18795617879048       -4.37088903483876        0.92399010574430
H           -2.85129390084331       -4.17890567447587        0.35762210714049
H           -1.83305195664805       -6.00244348256243        2.56249782907256
H           -2.45529498598977       -6.51367298379052        0.97021776480351
C           -1.92399622364662       -2.08428844140783        1.87952863557374
C           -0.37200098326051       -2.13096856806142        1.76595345260224
C            0.37891748616667       -2.83737988983538        2.89018323858971
C            1.86132447340261       -2.93564984627236        2.52212059698043
C            2.71462085399571       -3.66179543339673        3.54769673197622
Cl           2.26360077340247       -5.38638206975731        3.65155609825320
C           -2.35083130918350       -1.04127837756796        2.92223065598441
C           -2.00957000387168        0.40739015807815        2.58214551920303
C           -2.62046903140132        0.78829270412188        1.24040844487213
C           -2.10935732837931       -0.15851447480955        0.16349542991548
C           -2.45864180240657       -1.60696451692209        0.49771041985375
C           -7.48387585099082       -4.76705830785792        3.90748408805881
C           -7.72769919535342       -6.10506137549114        4.68631886585607
C           -6.71765045597874       -6.35240058748056        5.79974372074531
C           -6.62526350350578       -7.82026085127937        6.22450088064706
C           -7.90460332255901       -8.28772150616980        6.90176930032322
Cl          -7.73281485213206       -9.96933185290548        7.49092229056450
C           -7.53127508808102       -3.61250276221341        4.92322877828500
C           -7.71148089680063       -2.24204363100788        4.27312697236563
C           -8.97616684036379       -2.17839925030668        3.42805460527238
C           -8.86348942089077       -3.23833374503092        2.34224846896074
C           -8.73625539887149       -4.60793082561925        2.99721061571602
C           -2.80748915157909       -4.83385432107497        6.22659101486637
C           -3.98206257659698       -4.94814624443489        7.23645541431220
C           -3.74769725002999       -4.49351811774102        8.67559172592626
C           -4.98284824005835       -4.77341280414955        9.53320110745917
C           -4.78856706317002       -4.36822715200096       10.98534525847029
Cl          -3.51800364198660       -5.35656854830497       11.76352827978454
C           -1.65845198128640       -5.76251280529069        6.68799419149981
C           -0.36987284389083       -5.40008036003801        5.95905761823835
C            0.18114282571408       -4.08851078072661        6.52042067487572
C           -0.95922064129481       -3.19982684229653        7.02319015070171
C           -2.23665484950900       -3.39528587173996        6.20757677693044
H           -0.10814447933724       -2.61377384032957        0.82194240449677
H           -0.00402550430195       -1.10751011987010        1.70182372001957
H           -0.03569917407531       -3.83384210039137        3.04419802883465
H            0.27052094637351       -2.27770765309263        3.82083590291003
H            1.96135239257580       -3.44485622798223        1.56061141041851
H            2.27121138100652       -1.92722580879620        2.40747639781514
H            2.59298013533805       -3.24273169638948        4.54645419411702
H            3.76837044948757       -3.63840538270630        3.26825430778001
H           -3.43682191973910       -1.11782105252024        2.98158757991596
H           -1.90820975319296       -1.30839357597523        3.88415461460096
H           -0.92886874341634        0.55855944106249        2.55078627780131
H           -2.40277368848071        1.05764586703484        3.36906246990113
H           -2.37165362448718        1.82168530206783        0.98827307969605
H           -3.70814822892932        0.70497675150767        1.30083559077099
H           -1.02860934700941       -0.04283971430650        0.05656187126280
H           -2.56003546539771        0.09695638158971       -0.79860937048290
H           -2.05752152714177       -2.24485294470169       -0.29281971603783
H           -3.54473451025724       -1.71010760816943        0.49254756660386
H           -8.73858289667820       -6.09083404331716        5.09832106691153
H           -7.68379129732252       -6.92985271505975        3.97131518053407
H           -6.97798023617845       -5.75374566400392        6.67550741002311
H           -5.74481359728281       -6.01875840675902        5.43782415914836
H           -5.79549440061006       -7.94200009509929        6.92505244395008
H           -6.42215424802894       -8.45264243072005        5.35587479599645
H           -8.74802797606502       -8.28573527182699        6.21294812649870
H           -8.13763818806763       -7.67303634392627        7.77408135065189
H           -6.60375267284839       -3.63478180138176        5.49810169698978
H           -8.36428395616571       -3.78884285636203        5.60824012482128
H           -7.73454810666217       -1.47077083941971        5.04923694604877
H           -6.87477989365174       -2.05716422929346        3.59996860440684
H           -9.07730312560329       -1.18583730235537        2.98426671097248
H           -9.85866205088304       -2.36602289799116        4.04547020513448
H           -7.98893245817753       -3.02458229387311        1.72565734888651
H           -9.74715643934627       -3.22462389142762        1.69972822644616
H           -8.76730339944932       -5.39237745357659        2.24248761597714
H           -9.61340374243308       -4.75036477683916        3.63421108978894
H           -4.81738283794603       -4.37448466675604        6.82275524846937
H           -4.28417223172532       -5.99678138565797        7.26400757815161
H           -2.90573824274870       -5.02934852870153        9.11322068354486
H           -3.52526757748375       -3.42514279335373        8.71162545614292
H           -5.22296241686016       -5.83768723835266        9.48743886351203
H           -5.84078085949758       -4.21818131412900        9.14286875430777
H           -4.46892070661130       -3.32908296853237       11.07049237774960
H           -5.69747462998057       -4.52356689796750       11.56713754894862
H           -1.90827500300586       -6.81203610502764        6.54977788589483
H           -1.49696833729143       -5.62838817194648        7.75716281357377
H           -0.58400737533854       -5.27906089618441        4.89617395449526
H            0.37105460885506       -6.19496836560626        6.06135041839278
H            0.87084835933802       -4.29158432949054        7.34298965882176
H            0.74099162204736       -3.56928660854129        5.74364531181762
H           -0.66040006976999       -2.14903572314633        6.96816281280274
H           -1.16117833941063       -3.41595266178649        8.07338407017774
H           -2.98352963964616       -2.70435366040741        6.59925914106368
H           -2.03683772700052       -3.15514610196825        5.15829012380118
N           -4.60033066808009       -2.00919771772117        4.84760799764857
H           -5.21649255148575       -1.35063124748444        4.37568321816911
H           -3.74674625915302       -1.51414817087506        5.08778578920185
H           -5.06019128249224       -2.28161971366611        5.71288004835651
N           -5.00631224324026       -2.98881526614587        2.12249994782741
N           -5.56912919887116       -2.37780322165779        1.35395166585819
116
 energy: -148.615884781959 gnorm: 0.008472340183 xtb: 6.5.1 (b24c23e)
N           -2.48110171695965       -3.37467407975068        2.27633302701125
C           -2.24531818610183       -4.36457134760620        1.24926955766532
C           -2.55184662513134       -5.75888306727156        1.76720715724912
N           -3.88605951232461       -5.77687294625789        2.35304920134012
C           -4.93006513666730       -5.86172301276396        1.34765127727163
C           -6.29423043736371       -5.53548801945158        1.97883048869184
N           -6.20010249187167       -4.80321423613071        3.22587609603294
Mo          -4.18435055919089       -3.97566091652971        3.43901163795639
N           -3.34077573940152       -5.12975253355610        4.88484444520383
C           -3.23336853478513       -6.53812872394582        4.56824931879621
C           -4.01635821338001       -6.87251099519507        3.30431050616226
H           -3.63041180982312       -7.17646304471576        5.37811411492823
H           -2.18094866723250       -6.84212733484144        4.42251307137457
H           -5.07272347312279       -6.96558221199206        3.55200799312202
H           -3.66625146637542       -7.81971380698039        2.86480748668452
H           -6.86452800714673       -4.96444265510071        1.22577395336184
H           -6.84066498907888       -6.48322623950114        2.13041859798026
H           -4.71080666732042       -5.12938418040814        0.56801561244934
H           -4.95233686633247       -6.86253601571185        0.88501460637104
H           -1.20092806896514       -4.36155720705653        0.90741734588007
H           -2.86942979352711       -4.17150255600748        0.35582623208939
H           -1.83279922213772       -5.99231747419226        2.55519199138898
H           -2.45908067430640       -6.50800933932179        0.96555812044585
C           -1.92211011488851       -2.08058338620290        1.87865511870219
C           -0.37048304262624       -2.13380945000950        1.76576323353369
C            0.37647338835281       -2.85439175996929        2.88450101882682
C            1.85741992921753       -2.96790267616338        2.51164276756452
C            2.70483586300200       -3.71186903554859        3.53021816033650
Cl           2.22898078875923       -5.43060426152738        3.62752175216819
C           -2.34683444370604       -1.03873211998008        2.92312330805504
C           -2.00071379234845        0.40967675948493        2.58759109442310
C           -2.60908945699335        0.79612055138582        1.24604948038956
C           -2.09983148582130       -0.14981305486795        0.16756729784737
C           -2.45513704938317       -1.59782819334149        0.49767829173831
C           -7.48257127938516       -4.77239063549950        3.91664803139245
C           -7.72450683117339       -6.11559079011233        4.68820677124587
C           -6.70939386551805       -6.36973761225590        5.79589316537333
C           -6.59883546279954       -7.84583512027067        6.19561777735222
C           -7.87806836414740       -8.34737317349468        6.85537376473081
Cl          -7.68606345986436      -10.04538635014570        7.40541032039383
C           -7.52555827094340       -3.62525535985085        4.94090753858444
C           -7.71108731837456       -2.25018948072546        4.30198566472148
C           -8.98000584862124       -2.18064630725647        3.46331336975870
C           -8.87271638160139       -3.23285519845162        2.36861836448546
C           -8.73816923710436       -4.60763192312572        3.01160223731895
C           -2.80948915908421       -4.82497594985847        6.22657117093217
C           -3.98816374545845       -4.93242537352480        7.23269186083737
C           -3.75949727216523       -4.46588720821959        8.66912364873352
C           -4.99924819240506       -4.73312845766613        9.52448506235264
C           -4.80913699668333       -4.31075991917692       10.97283040347416
Cl          -3.54749106886742       -5.29731080747748       11.76885311970021
C           -1.66491569941144       -5.75531952075678        6.69658459392661
C           -0.36959570812613       -5.39710285995983        5.97730308990767
C            0.18020550880610       -4.08586780011935        6.54047993097027
C           -0.96257662391472       -3.19156391281968        7.02880422239105
C           -2.23440047267709       -3.38804794069824        6.20467623040060
H           -0.10871978926274       -2.61064859045114        0.81788862893949
H            0.00350783221091       -1.11167748944544        1.70976295179721
H           -0.04932764636886       -3.84750627660088        3.03421846573798
H            0.27693099538382       -2.29844886769250        3.81880333878681
H            1.94909458239112       -3.47236800088948        1.54626769279422
H            2.27989364242769       -1.96326296455627        2.40288466020866
H            2.59321210716853       -3.29540044263526        4.53162665044552
H            3.75825932373436       -3.70198973644921        3.24635108972110
H           -3.43311115576180       -1.11261768436541        2.97948022231462
H           -1.90699954801602       -1.30989109093048        3.88522479827368
H           -0.91952979447672        0.55732543967941        2.55763376961079
H           -2.39287706136347        1.05921692037768        3.37567420081240
H           -2.35681197209111        1.82949985329970        0.99752004533562
H           -3.69720606162065        0.71561804794457        1.30492120535597
H           -1.01852618189238       -0.03802839976536        0.06198498070192
H           -2.54823719274852        0.10988293060603       -0.79452536210891
H           -2.05663011044705       -2.23581590815529       -0.29452729808435
H           -3.54198339836496       -1.69716605438071        0.49257363695493
H           -8.73363462368965       -6.10325603408485        5.10502863486646
H           -7.68432170162942       -6.93595345923635        3.96763452587563
H           -6.97547573779829       -5.78776336436829        6.68332755760880
H           -5.74050839820532       -6.01835108958311        5.43566320764072
H           -5.77356712828328       -7.96740870308950        6.90212151362799
H           -6.37629031956221       -8.46067259460861        5.31606707948389
H           -8.71597638500834       -8.34021708252351        6.15935034624218
H           -8.12782972850613       -7.75524001631916        7.74284427186440
H           -6.59378573371613       -3.65053673011408        5.50920351665096
H           -8.35336130125677       -3.80747294863816        5.63062580220958
H           -7.73162469071335       -1.48546709944614        5.08477192335276
H           -6.87772057715736       -2.05897608531060        3.62644412944745
H           -9.08278475866693       -1.18454639304341        3.02604171962852
H           -9.85993976806567       -2.37176925983951        4.08404076592660
H           -8.00421200740125       -3.01188449521018        1.74621544252959
H           -9.76209910228257       -3.21646294761112        1.73401469213227
H           -8.76953088305721       -5.38516888401479        2.24961417676090
H           -9.61275452335068       -4.75814602432449        3.65047257826825
H           -4.82189558642170       -4.36217954458115        6.81078337591880
H           -4.28971965983607       -5.98116281509732        7.26708445500301
H           -2.92120902477792       -5.00068223575963        9.11558106942159
H           -3.53397144551159       -3.39778252217618        8.69672148252114
H           -5.24150979947291       -5.79755299238332        9.49050108033176
H           -5.85432872232287       -4.18037605490417        9.12381208962402
H           -4.48348844492550       -3.27225797323980       11.04621669152923
H           -5.72144622499024       -4.45290810594763       11.55314648131644
H           -1.91545495076889       -6.80463040188930        6.55787612674214
H           -1.51145875580449       -5.62004162969565        7.76697670915995
H           -0.57428982227805       -5.27800706092970        4.91225945051241
H            0.36869562723071       -6.19372121211129        6.08747481741170
H            0.85999242880767       -4.28913749865764        7.37150569962799
H            0.75125896384653       -3.57096592855179        5.76839458234032
H           -0.66085155858236       -2.14164158130765        6.97052733791253
H           -1.17303668546052       -3.40157895540489        8.07875337933503
H           -2.98273125411559       -2.69370149336839        6.58775858789748
H           -2.02683169080469       -3.15326895325910        5.15564487406484
N           -4.59995750668383       -1.99857779617861        4.84022820107969
H           -5.19850446216526       -1.33028081883063        4.35490313594324
H           -3.74226195100838       -1.51519023643331        5.09187942325683
H           -5.07983917754638       -2.25958403208271        5.70033468850377
N           -5.00912011475210       -2.98692585167832        2.12094363751024
N           -5.56966124966810       -2.37531122724273        1.35097686928757
116
 energy: -148.616043983622 gnorm: 0.003526901984 xtb: 6.5.1 (b24c23e)
N           -2.48130125159472       -3.37375458652445        2.27654666399687
C           -2.24762157741054       -4.36280996916042        1.24801542985007
C           -2.55160807628135       -5.75771223705039        1.76586381389371
N           -3.88504921516019       -5.77768790149894        2.35310661112620
C           -4.92990988836639       -5.86273187131170        1.34867579485496
C           -6.29359898136045       -5.53531962322175        1.98023233511980
N           -6.19862732875641       -4.80387359491311        3.22770227632049
Mo          -4.18236933242881       -3.97715258280235        3.43885789038837
N           -3.33887619847299       -5.12998178294544        4.88474903459404
C           -3.23065330760837       -6.53878069669446        4.56786738445949
C           -4.01315614343062       -6.87395210235328        3.30384425000413
H           -3.62802347800393       -7.17602105704800        5.37797277955300
H           -2.17825923091166       -6.84197162870585        4.42269584567320
H           -5.06940963153466       -6.96950227075499        3.55108731746959
H           -3.66094723899777       -7.82010659153155        2.86371219606471
H           -6.86309864521007       -4.96303458227081        1.22770515953242
H           -6.84114677479431       -6.48235623913458        2.13107337837519
H           -4.71106703884344       -5.13109423563986        0.56846801583161
H           -4.95268989968966       -6.86368533900034        0.88665368953316
H           -1.20435669670269       -4.35827164101099        0.90325646294577
H           -2.87448340181883       -4.16961983876376        0.35663949218594
H           -1.83138917070785       -5.99051320823049        2.55294944358755
H           -2.45883782499050       -6.50646656222730        0.96384636801232
C           -1.92344718558339       -2.07895172427112        1.87946969728795
C           -0.37218689396443       -2.13264172187049        1.76652696138843
C            0.37359759845568       -2.85661740075142        2.88392502888980
C            1.85422131105049       -2.96819601809975        2.51318024818967
C            2.69926768410698       -3.71754210333620        3.52954513443594
Cl           2.22383011705418       -5.43526578344913        3.61751200101341
C           -2.34894139961390       -1.03796804524307        2.92446627398497
C           -2.00327487633646        0.41048365352074        2.58946946165199
C           -2.61209075081092        0.79766023165589        1.24828578150426
C           -2.10439797450619       -0.14781611164247        0.16879671598053
C           -2.45790051809629       -1.59590297798212        0.49936838941605
C           -7.48113925714835       -4.77280157710703        3.91787759201343
C           -7.72402484257253       -6.11660109789415        4.68851528627674
C           -6.70825536505711       -6.37429203191159        5.79467861847819
C           -6.60198552965694       -7.84694251742979        6.19677199392233
C           -7.88298854117447       -8.34344877606799        6.84782126638548
Cl          -7.69576552514844      -10.03160682990046        7.40604998522353
C           -7.52507512056505       -3.62493196638019        4.94096463041220
C           -7.70747980538241       -2.25059588705471        4.30018861341748
C           -8.97597184751695       -2.18020098475315        3.46130812238040
C           -8.87041924476629       -3.23409359554287        2.36859335188172
C           -8.73701738914859       -4.60763364315023        3.01312662859489
C           -2.80685935407125       -4.82593925442128        6.22636285026340
C           -3.98538211269634       -4.93453740841881        7.23232365719306
C           -3.75736165348563       -4.46573841724154        8.66778574392990
C           -4.99809046495106       -4.72907877232394        9.52263987363470
C           -4.80703297564939       -4.30512462746652       10.96984128565388
Cl          -3.54739336016332       -5.29220451305248       11.76692441427775
C           -1.66215795120907       -5.75575565564318        6.69681024552877
C           -0.36600154376756       -5.39687591101038        5.97992110639868
C            0.18263318917541       -4.08590624549996        6.54470525428301
C           -0.96076166543867       -3.19142031472163        7.03034787796169
C           -2.23190261526855       -3.38898252847420        6.20558060044566
H           -0.11043433063289       -2.60760863148506        0.81783987366978
H            0.00234910811673       -1.11077724794118        1.71274740488403
H           -0.05134747477249       -3.85009667733480        3.02935764236230
H            0.27208501167273       -2.30479120817091        3.81989039214915
H            1.94753613045719       -3.46725093800486        1.54566265850618
H            2.27677766950285       -1.96376900485146        2.41032651502424
H            2.58614517398446       -3.30678531390650        4.53265456493632
H            3.75249300328292       -3.70567813695566        3.24774582807473
H           -3.43519187993068       -1.11241787831014        2.98008975958946
H           -1.90980609172051       -1.30899914629796        3.88684103104963
H           -0.92223241477879        0.55806489584299        2.55893472718153
H           -2.39511905394715        1.05959613840698        3.37796797219805
H           -2.35909433520244        1.83082911487678        1.00005449269959
H           -3.70014241211185        0.71833256241979        1.30785623288620
H           -1.02365385443980       -0.03528618635700        0.06071409582319
H           -2.55559958435163        0.11145091274772       -0.79198768103049
H           -2.06075050326323       -2.23343671416420       -0.29328799991928
H           -3.54436634696544       -1.69505160711994        0.49586869426987
H           -8.73265532552570       -6.10285596992602        5.10601111439379
H           -7.68586077978790       -6.93610854450990        3.96715135552032
H           -6.96928979697090       -5.79055731297206        6.67991556373719
H           -5.73954204881800       -6.02848934031528        5.43467822630635
H           -5.78029078458385       -7.96827459892173        6.90730443434611
H           -6.37874400947400       -8.46312220181902        5.32202696509705
H           -8.71778838358074       -8.33934274722418        6.14864024071860
H           -8.13402551825942       -7.74869348328614        7.72721709846734
H           -6.59517032663722       -3.65021118054320        5.51181482700640
H           -8.35473459398563       -3.80576764574324        5.62841014032779
H           -7.72655179322232       -1.48439144266040        5.08104604985334
H           -6.87335761243706       -2.06236727764711        3.62508050941730
H           -9.07680591523886       -1.18502907131949        3.02239164946923
H           -9.85636589493140       -2.36872437265112        4.08171702226389
H           -8.00233666110323       -3.01420038445727        1.74594242254373
H           -9.75985389233109       -3.21795649531368        1.73439380376017
H           -8.77025637607743       -5.38623749580642        2.25266126269051
H           -9.61143358631236       -4.75568698905822        3.65249976171542
H           -4.82002232962427       -4.36652273291690        6.80967579360477
H           -4.28515093887886       -5.98373370830166        7.26792447430926
H           -2.92039547400417       -5.00105840047903        9.11574907436060
H           -3.52995754309840       -3.39811631941894        8.69369630656084
H           -5.24304821020171       -5.79261723026469        9.49011255628643
H           -5.85166064320648       -4.17510844060534        9.12127548361017
H           -4.47929189073588       -3.26755144611295       11.04163437332451
H           -5.71938661017617       -4.44469313153599       11.55006658012515
H           -1.91187821187475       -6.80512590287724        6.55732444957606
H           -1.51018029289013       -5.62066771843973        7.76733333822809
H           -0.56865065353442       -5.27778532025155        4.91475240153677
H            0.37218507438863       -6.19318277970334        6.09136051037827
H            0.86002275955859       -4.28945872646002        7.37727980108465
H            0.75579134824841       -3.57098847396652        5.77460980362846
H           -0.65913462728822       -2.14158939187428        6.97070309952817
H           -1.17189773364185       -3.39972437153696        8.08028161225141
H           -2.98041012359915       -2.69519364444331        6.58873280344072
H           -2.02416545923383       -3.15365578542405        5.15697561908882
N           -4.60032101403090       -2.00176481936867        4.84036787934903
H           -5.20039413347292       -1.33487664213275        4.36122432572015
H           -3.74502789838984       -1.51653933092750        5.09220492363929
H           -5.07510384431131       -2.26637713645386        5.69872558275441
N           -5.00742776135853       -2.99078234304763        2.11953255013670
N           -5.56920399724620       -2.38072260292879        1.34818518980842
116
 energy: -148.616120430743 gnorm: 0.002394757213 xtb: 6.5.1 (b24c23e)
N           -2.48373587998979       -3.37162477214184        2.27661183137555
C           -2.25167718979617       -4.35913638541482        1.24604014708558
C           -2.55234980162858       -5.75459507645744        1.76370746123696
N           -3.88462077436656       -5.77593250007757        2.35308992135640
C           -4.93070509730228       -5.86126015925915        1.35003384763565
C           -6.29375667191325       -5.53195309408625        1.98197954457077
N           -6.19781766756003       -4.80343909956994        3.23103157186283
Mo          -4.18210411175744       -3.97626462349376        3.43986209982798
N           -3.33625926906404       -5.12724533091072        4.88401576902543
C           -3.22807106851688       -6.53664274456974        4.56761964067886
C           -4.01007689427069       -6.87272038733485        3.30332477553975
H           -3.62595092335494       -7.17266126675375        5.37813416705221
H           -2.17571886127729       -6.83934147615296        4.42312124757200
H           -5.06615742593460       -6.97151207294502        3.54995782342158
H           -3.65528713476967       -7.81768410308315        2.86262308655519
H           -6.86185390254020       -4.95658623586618        1.23063776169698
H           -6.84363709574341       -6.47778280363751        2.13050773978619
H           -4.71209359915876       -5.13091909630142        0.56880607187961
H           -4.95453056753871       -6.86260889117889        0.88917141625333
H           -1.20989036522884       -4.35260530579864        0.89731857393827
H           -2.88210084147042       -4.16581738097430        0.35722877311936
H           -1.83053866294928       -5.98682652026682        2.54950814494031
H           -2.46008008673132       -6.50302757647915        0.96126650323012
C           -1.92466486652683       -2.07673129126088        1.88076012628888
C           -0.37363137080652       -2.13298837988794        1.76699187648973
C            0.36911882137188       -2.86445308413842        2.88154291456457
C            1.84914298891688       -2.98039973781989        2.51197090127422
C            2.68889148295189       -3.74026734406137        3.52472155336737
Cl           2.20523784382560       -5.45534276697271        3.60065071934527
C           -2.34816001933347       -1.03571734738861        2.92662081144208
C           -1.99992055691296        0.41225174968438        2.59186865341701
C           -2.60918226720212        0.80181549573521        1.25157984803036
C           -2.10647371994976       -0.14474462614565        0.17063647968327
C           -2.46125287711679       -1.59223717646351        0.50245566584514
C           -7.47917202455913       -4.77509084363442        3.92277346482956
C           -7.72018473069028       -6.12150307324509        4.68952789071916
C           -6.70285519234456       -6.38376526675341        5.79287362157080
C           -6.59498764537402       -7.85700402346215        6.18758040634201
C           -7.87696183340275       -8.36134745903792        6.82706244032012
Cl          -7.68559502055909      -10.04946316698422        7.37607398389940
C           -7.52316486686936       -3.62902280481602        4.94788338516706
C           -7.70319134363156       -2.25428630313611        4.30731958747113
C           -8.97310444160224       -2.18172529757254        3.47124492968514
C           -8.86996821010925       -3.23421375328572        2.37715139919521
C           -8.73645441778952       -4.60817466405542        3.02013012471949
C           -2.80543508404585       -4.82316835297893        6.22609500689752
C           -3.98501616960463       -4.93076496389368        7.23094497073029
C           -3.75958105555929       -4.45553896656351        8.66445167121661
C           -5.00286218027446       -4.71147167111249        9.51750151465708
C           -4.81360041189724       -4.28109457153437       10.96274827332466
Cl          -3.55744387150244       -5.26611622605928       11.76690505986268
C           -1.66216324065208       -5.75315547498806        6.69926493037685
C           -0.36367881512190       -5.39531891549180        5.98645750506914
C            0.18393113940659       -4.08429917997604        6.55208487552649
C           -0.96010735729378       -3.18803182808594        7.03213441015916
C           -2.22964248859989       -3.38659753749666        6.20508912650498
H           -0.11294143024095       -2.60442054441978        0.81637402351093
H            0.00370091751014       -1.11207155445625        1.71790361411583
H           -0.05930313449826       -3.85682441855301        3.02187113057737
H            0.26848125484871       -2.31707843704275        3.81994679697627
H            1.94130099321301       -3.47368982119493        1.54169931457809
H            2.27655759249448       -1.97790499571998        2.41591598499825
H            2.57625962275659       -3.33587359020347        4.53022875306960
H            3.74246487248896       -3.73122561563691        3.24458198763698
H           -3.43458657547417       -1.10827364104014        2.98217641403155
H           -1.90965397950252       -1.30745045212236        3.88897294373949
H           -0.91862666314330        0.55761856894397        2.56016248822874
H           -2.38951559339270        1.06174299697763        3.38112662366212
H           -2.35260178737120        1.83407411262838        1.00314559231322
H           -3.69742583270297        0.72705200044130        1.31266454006789
H           -1.02595913376768       -0.03387779579690        0.05890632861094
H           -2.56120264169972        0.11505372794306       -0.78833943516568
H           -2.06823239328581       -2.23025332586454       -0.29127680464847
H           -3.54766503152930       -1.68869963134488        0.50262998458725
H           -8.72815488212465       -6.10937400904868        5.10824094310284
H           -7.68307402707169       -6.93802983289812        3.96499391650572
H           -6.96221932735743       -5.80423503330542        6.68035282564735
H           -5.73500788529236       -6.03668120556774        5.43426195802188
H           -5.77674102425830       -7.98033042478850        6.90153830358317
H           -6.36592535321796       -8.46708487048814        5.31141629642148
H           -8.70777451468329       -8.35685129142635        6.12336917273025
H           -8.13498364529175       -7.77329461970743        7.70739844482513
H           -6.59443936605997       -3.65566298477297        5.52052733833213
H           -8.35422403006475       -3.80990913681151        5.63361697398473
H           -7.71775442876988       -1.48707769936074        5.08711164547156
H           -6.87001401217481       -2.06984004579557        3.62996512802555
H           -9.07444404689029       -1.18616375618127        3.03409991632223
H           -9.85225933547582       -2.37069377472281        4.09289950647100
H           -8.00253607161482       -3.01398924786823        1.75406935851091
H           -9.75978863671708       -3.21689753819968        1.74371711508082
H           -8.77196784581305       -5.38643410526412        2.25942389197807
H           -9.60975950581764       -4.75570525833895        3.66120887791552
H           -4.82039918201292       -4.36653112649711        6.80506250946389
H           -4.28245767109959       -5.98048137326679        7.27046833276770
H           -2.92493443769877       -4.99047352346579        9.11694067984395
H           -3.52975382096331       -3.38845514656645        8.68582793453906
H           -5.25108372094404       -5.77417041727871        9.48932985527561
H           -5.85382444685691       -4.15687103325277        9.11182363711217
H           -4.48405055421295       -3.24408468432930       11.02994198212600
H           -5.72716695933582       -4.41609602529062       11.54156767470561
H           -1.91166293724111       -6.80249346707759        6.55919983888517
H           -1.51345353627560       -5.61765237585924        7.77010800299862
H           -0.56236448644058       -5.27740750087227        4.92069185715938
H            0.37348431531010       -6.19185649126846        6.10149097000660
H            0.85742988580098       -4.28776800083990        7.38749101573894
H            0.76089297793813       -3.57074425625429        5.78422453649060
H           -0.65769876967863       -2.13864367722249        6.96990229468376
H           -1.17373051470858       -3.39290715355287        8.08205549058944
H           -2.97849052135605       -2.69220039332675        6.58622760294889
H           -2.01995895836670       -3.15239281912907        5.15673635242006
N           -4.60005350090480       -2.00138110472583        4.83989232454775
H           -5.19482034260905       -1.33344311059303        4.35612148637491
H           -3.74527567044247       -1.51841203915695        5.09747731092192
H           -5.08142111424645       -2.26486183793197        5.69482111933168
N           -5.00846249046571       -2.99166031406190        2.12009271707121
N           -5.56794085543635       -2.38389784151636        1.34602004253518
116
 energy: -148.616146007654 gnorm: 0.002250901935 xtb: 6.5.1 (b24c23e)
N           -2.48397441429681       -3.37122996434948        2.27723055010841
C           -2.25123026263868       -4.35880234007939        1.24685146285065
C           -2.55195995350251       -5.75429346359634        1.76414733893865
N           -3.88428908093491       -5.77592914167971        2.35305857986520
C           -4.93024451044164       -5.86069323016787        1.35004444896516
C           -6.29307870642813       -5.53074417405846        1.98193049062527
N           -6.19715685164389       -4.80280503803050        3.23128958135178
Mo          -4.18137091914654       -3.97691410286285        3.43996065037582
N           -3.33601520187349       -5.12778213643403        4.88440679612071
C           -3.22800500586376       -6.53687376805473        4.56772825583872
C           -4.00997227923882       -6.87261058126597        3.30310154216582
H           -3.62596496406279       -7.17335203549206        5.37803943524410
H           -2.17564877035066       -6.84008798958655        4.42312223206240
H           -5.06604586033889       -6.97158077692220        3.54964914467672
H           -3.65517896950671       -7.81759856454625        2.86233797882090
H           -6.86075882538555       -4.95483997270444        1.23051786498760
H           -6.84363895997133       -6.47618179839567        2.12980854945399
H           -4.71124231980981       -5.13057542240477        0.56882281528693
H           -4.95458701725783       -6.86205434905806        0.88919946178179
H           -1.20916023282796       -4.35206148977940        0.89862595866426
H           -2.88103446675383       -4.16569098180219        0.35725885530057
H           -1.83033070403854       -5.98669489669165        2.55004597810405
H           -2.45941001832598       -6.50262569689748        0.96162997390711
C           -1.92563631440977       -2.07610735308523        1.88120716541404
C           -0.37445331323697       -2.13212992544946        1.76678385657490
C            0.36734387882007       -2.86420208168860        2.88106223949693
C            1.84760573285469       -2.98057971313711        2.51233714613520
C            2.68524738591091       -3.74286260257971        3.52437874991991
Cl           2.20047031858175       -5.45804954125604        3.59560182349219
C           -2.34763862682986       -1.03489698503042        2.92747184327959
C           -1.99828279165390        0.41273106420765        2.59198229821842
C           -2.60823011576160        0.80283897246225        1.25226057342156
C           -2.10832272297589       -0.14457768937095        0.17087643302069
C           -2.46348266683711       -1.59176795260626        0.50367800818363
C           -7.47838156885200       -4.77537797246664        3.92331416571313
C           -7.71852933538794       -6.12162675396506        4.68977227843368
C           -6.70181819046694       -6.38305554760153        5.79368922293111
C           -6.59518981513018       -7.85718103941500        6.18771535059590
C           -7.87787902166565       -8.36193357840620        6.82672743346775
Cl          -7.68661693828008      -10.05123315292144        7.37406771679993
C           -7.52333456980196       -3.62926885432382        4.94851721100226
C           -7.70157879831636       -2.25489190669347        4.30563546980251
C           -8.97156334655334       -2.18218915013531        3.46978800333814
C           -8.86818660078905       -3.23522173142303        2.37616393950480
C           -8.73578960134522       -4.60907226859688        3.02062137856645
C           -2.80498930005090       -4.82346693944965        6.22627645234302
C           -3.98434386369853       -4.93133184742881        7.23141841296510
C           -3.75889431613615       -4.45519019621748        8.66451165591931
C           -5.00249228682950       -4.71020873262058        9.51707091715557
C           -4.81413462638968       -4.27903137808600       10.96212113500642
Cl          -3.55816436965920       -5.26263515981569       11.76791922448175
C           -1.66155915386769       -5.75323185606699        6.69926297019476
C           -0.36323180448171       -5.39529835150620        5.98607757593025
C            0.18424093187368       -4.08402129229941        6.55137574530613
C           -0.95977642367514       -3.18802986597833        7.03189089490363
C           -2.22958687081608       -3.38675769972927        6.20509121203843
H           -0.11413177719686       -2.60317961512661        0.81602029633163
H            0.00309667617092       -1.11150648170029        1.71825952895020
H           -0.06180384854692       -3.85630518264588        3.02069201458080
H            0.26608383106362       -2.31713357826024        3.81970602731268
H            1.94009797101493       -3.47254436729255        1.54127858433459
H            2.27622325383728       -1.97844336781909        2.41810048809762
H            2.57085210468421       -3.34047368261125        4.53077540188123
H            3.73946353768413       -3.73362449009620        3.24587098021286
H           -3.43405823993570       -1.10624223806110        2.98426500373334
H           -1.90847274279634       -1.30682577500875        3.88945596709895
H           -0.91688594996349        0.55714195048283        2.55934073637356
H           -2.38632875585662        1.06261485104277        3.38157807393133
H           -2.35005418509928        1.83443159955386        1.00280413411230
H           -3.69636705066928        0.73046764462532        1.31466946617673
H           -1.02794289340977       -0.03463285005143        0.05758950809280
H           -2.56444387603815        0.11533450257809       -0.78738718745736
H           -2.07214411145091       -2.23007261320413       -0.29027366568998
H           -3.54971321385366       -1.68722550059999        0.50529483771636
H           -8.72676252073292       -6.11093900477802        5.10778179246305
H           -7.68006332774998       -6.93770240841433        3.96489267007707
H           -6.96194883546249       -5.80320350325916        6.68119707605073
H           -5.73311101776855       -6.03639248710819        5.43509813389188
H           -5.77695150654992       -7.98191908487311        6.90129276242901
H           -6.36542551725081       -8.46575538018454        5.31045235971779
H           -8.70798134940711       -8.35629772245326        6.12206756962238
H           -8.13747483568835       -7.77457896161412        7.70767923786946
H           -6.59557575818373       -3.65666228668044        5.52325911972806
H           -8.35647065805633       -3.80896311080757        5.63280670090247
H           -7.71483680595541       -1.48588650467172        5.08397970429734
H           -6.86804553277324       -2.07333650490223        3.62745067861980
H           -9.07331309341113       -1.18664405790265        3.03301166385880
H           -9.85049277305782       -2.37146461672722        4.09167447723718
H           -7.99933760296656       -3.01682023639436        1.75359033067009
H           -9.75727820870281       -3.21742457509074        1.74140947576653
H           -8.77140675274404       -5.38837146385307        2.26062285941306
H           -9.60929414942137       -4.75567336197734        3.66203386822140
H           -4.82012757152562       -4.36778872778146        6.80541963933231
H           -4.28118409555416       -5.98112412947400        7.27167022257944
H           -2.92452878453079       -4.98984797016657        9.11765192770056
H           -3.52879146222989       -3.38821894089046        8.68508649156985
H           -5.25127244805086       -5.77282302183879        9.48916735341092
H           -5.85290604498821       -4.15539699521817        9.11054095761114
H           -4.48526129850063       -3.24177596979433       11.02869492808025
H           -5.72803378309784       -4.41425673702450       11.54036747196445
H           -1.91096279144145       -6.80258140759415        6.55911471875015
H           -1.51268667399464       -5.61781265450961        7.77008671233538
H           -0.56215921168837       -5.27766862588373        4.92034812244246
H            0.37399045358049       -6.19167859102197        6.10134112668693
H            0.85833678963218       -4.28728469340538        7.38639766156343
H            0.76050235692030       -3.57025791190755        5.78306272657137
H           -0.65760582088353       -2.13864829792062        6.96955051265121
H           -1.17321104995526       -3.39298626496280        8.08181123446265
H           -2.97842755193589       -2.69245406553554        6.58649966544316
H           -2.02015638918398       -3.15244318154303        5.15664892805524
N           -4.60027095857005       -2.00254829493201        4.84080229188828
H           -5.19529742564016       -1.33549299159808        4.35647150369604
H           -3.74562563973151       -1.51928015616578        5.09838374980908
H           -5.08177160742198       -2.26684606322552        5.69543083259928
N           -5.00836873490252       -2.98716163845420        2.12421680797133
N           -5.57276522952534       -2.38888592570619        1.34653079713775
116
 energy: -148.616177244537 gnorm: 0.004771294257 xtb: 6.5.1 (b24c23e)
N           -2.48528292575387       -3.36961135715584        2.28023665873348
C           -2.24946727128928       -4.35724085124248        1.25051409753328
C           -2.55073957038544       -5.75253735799290        1.76686866931599
N           -3.88322568428986       -5.77400590776238        2.35466512373468
C           -4.92817260725997       -5.85780293794194        1.35102347321745
C           -6.29063201703329       -5.52638186307661        1.98218407731412
N           -6.19460094512282       -4.80164026521805        3.23325385334855
Mo          -4.18017154745716       -3.97435740386111        3.44352602646662
N           -3.33427999622029       -5.12994217495516        4.88459645309033
C           -3.22724097470756       -6.53823593696235        4.56801959438376
C           -4.00963748869120       -6.87178516202262        3.30253288929148
H           -3.62567153595560       -7.17608796351661        5.37770685299550
H           -2.17502307887510       -6.84359950959342        4.42278581806550
H           -5.06565188612537       -6.97140016528165        3.54895664515561
H           -3.65498640694182       -7.81652109079342        2.86066132899593
H           -6.85649822861925       -4.94785879392098        1.23083527197895
H           -6.84359884272188       -6.47056841505773        2.12699528200511
H           -4.70785319282517       -5.12850498994865        0.56972372144924
H           -4.95378150549256       -6.85926975682613        0.89024806691245
H           -1.20638412803502       -4.34988729306301        0.90418194025965
H           -2.87702201616894       -4.16501306434928        0.35816032692736
H           -1.82965508757013       -5.98575431175323        2.55296177687017
H           -2.45762921785129       -6.50064013539478        0.96408946317990
C           -1.92968738842705       -2.07371466878739        1.88316615223816
C           -0.37802801784387       -2.12900389676661        1.76579255140928
C            0.36061701642403       -2.86330676418120        2.87907352852827
C            1.84170438584725       -2.98144369185659        2.51365331803206
C            2.67152856981857       -3.75323291818038        3.52295822611984
Cl           2.18247983753208       -5.46875254297347        3.57595532501769
C           -2.34606514085769       -1.03162388087122        2.93081268343552
C           -1.99227509420770        0.41468426839412        2.59266650823539
C           -2.60478870020876        0.80688863534153        1.25503840231622
C           -2.11561462055689       -0.14401450279258        0.17202473001466
C           -2.47271132182237       -1.58997021766635        0.50861847721579
C           -7.47565744532123       -4.77678495769953        3.92564168200190
C           -7.71272590965718       -6.12254218653302        4.69085710485970
C           -6.69840101067123       -6.38125791487746        5.79692987652915
C           -6.59562361676188       -7.85818156691439        6.18869105322623
C           -7.88105885316220       -8.36422876859616        6.82496384519582
Cl          -7.69053684110175      -10.05757701509318        7.36637669135141
C           -7.52414309213194       -3.63002086770613        4.95053688731918
C           -7.69538631692765       -2.25709054512433        4.29942761039536
C           -8.96546875075148       -2.18408669249599        3.46413293846151
C           -8.86128704593691       -3.23918685994995        2.37241240663140
C           -8.73313881682069       -4.61237126191412        3.02233005034397
C           -2.80318814006913       -4.82476897071027        6.22609321653371
C           -3.98155937826094       -4.93351470464186        7.23260410927339
C           -3.75624180888496       -4.45391852629252        8.66431359034789
C           -5.00110286699304       -4.70528660881781        9.51521921695415
C           -4.81622140011967       -4.27088708469395       10.95954592706516
Cl          -3.56082034561082       -5.24916593521954       11.77139933454074
C           -1.65925560976199       -5.75365688844727        6.69877217135606
C           -0.36137957934318       -5.39527942501108        5.98455723893565
C            0.18542838829700       -4.08300025086541        6.54864600352759
C           -0.95856641059505       -3.18813584731293        7.03087560478435
C           -2.22920453400889       -3.38754900901208        6.20479881984562
H           -0.11921428758390       -2.59862995260566        0.81436312819136
H            0.00029919822557       -1.10934733425040        1.71916373620140
H           -0.07095143117702       -3.85453074447244        3.01629385904930
H            0.25734217460324       -2.31745315380376        3.81862067854447
H            1.93533702584382       -3.46794323051870        1.53945720898522
H            2.27465832804069       -1.98053673761211        2.42662465162763
H            2.55067844530667       -3.35901835681074        4.53278022084130
H            3.72809487582539       -3.74341364355691        3.25092622105182
H           -3.43248834485079       -1.09844090535291        2.99215543383246
H           -1.90447731998766       -1.30424038300513        3.89145015618293
H           -0.91045436755242        0.55526706926255        2.55650420239348
H           -2.37449679712512        1.06619318516984        3.38347191803158
H           -2.34033545330547        1.83600738010203        1.00199469740595
H           -3.69266323923952        0.74357084173534        1.32237118356098
H           -1.03570539469851       -0.03777954881021        0.05251124310101
H           -2.57703832700845        0.11632505411185       -0.78353186891197
H           -2.08771316994642       -2.22949020736247       -0.28629967007747
H           -3.55849303883861       -1.68187852922471        0.51615946943342
H           -8.72199895558904       -6.11701781786240        5.10614003002707
H           -7.66905777370711       -6.93711268437508        3.96481186835247
H           -6.96105440109184       -5.80037027722666        6.68440385077160
H           -5.72682559546974       -6.03607528453893        5.43884372855840
H           -5.77770834472788       -7.98785475609805        6.90132535664691
H           -6.36378227277566       -8.46166285397405        5.30771239358960
H           -8.70865735898288       -8.35469465658971        6.11694793339930
H           -8.14583807644572       -7.77963670006986        7.70810353219946
H           -6.60038178827103       -3.65986215969503        5.53330299513590
H           -8.36477809985241       -3.80526095609020        5.62924750183016
H           -7.70365263131493       -1.48157147772150        5.07235189107199
H           -6.86063942595553       -2.08639741936981        3.61837118700395
H           -9.06854290416886       -1.18872425839329        3.02825859988165
H           -9.84374126580855       -2.37429973178821        4.08670632880612
H           -7.98748086360708       -3.02707525288124        1.75196057840315
H           -9.74758860724449       -3.21989310997491        1.73286019631015
H           -8.76938963271842       -5.39538890985455        2.26506593645888
H           -9.60744290858307       -4.75525753545958        3.66470177473754
H           -4.81889936293392       -4.37256161760904        6.80629877241757
H           -4.27616090766192       -5.98363088309140        7.27559463415367
H           -2.92294884640389       -4.98766913346264        9.11993258667568
H           -3.52504393890570       -3.38733157564183        8.68200327356676
H           -5.25194279411719       -5.76757879034517        9.48857035666032
H           -5.84955036497890       -4.14979204004437        9.10549890462574
H           -4.48991807491726       -3.23268972699646       11.02380392027893
H           -5.73136198386886       -4.40684571205014       11.53569534009337
H           -1.90825089122508       -6.80306767012435        6.55833431802860
H           -1.51002129846863       -5.61845297648542        7.76955975423248
H           -0.56107460532668       -5.27874159527255        4.91893665283291
H            0.37613142716565       -6.19103405888965        6.10071144317697
H            0.86174512367680       -4.28534382214474        7.38224114641265
H            0.75903524508270       -3.56837053670787        5.77872704299029
H           -0.65732904824840       -2.13871381482191        6.96828851757645
H           -1.17127502867412       -3.39352885526676        8.08077931818177
H           -2.97809206156916       -2.69374427186541        6.58725676073971
H           -2.02062611088842       -3.15257794358469        5.15615034380785
N           -4.60088556508925       -2.00503008160250        4.84567943200080
H           -5.19715901984348       -1.34147455698920        4.35923334774024
H           -3.74702350900676       -1.52040829241856        5.10348877633183
H           -5.08291112214146       -2.27283832244574        5.69896050657573
N           -5.01388326906356       -2.99468454373314        2.12365691158199
N           -5.57914783847665       -2.39316408346324        1.34996660341232
116
 energy: -148.616216911663 gnorm: 0.002057817500 xtb: 6.5.1 (b24c23e)
N           -2.48556866499294       -3.36891571666623        2.28058306884548
C           -2.24934952037476       -4.35664805315443        1.25105580581624
C           -2.55005492655210       -5.75231071059972        1.76709092829464
N           -3.88269188646736       -5.77472376695989        2.35453324006012
C           -4.92785865324876       -5.85797725258974        1.35100854124550
C           -6.29056308187243       -5.52661609797121        1.98213470026402
N           -6.19482726751933       -4.80208150737629        3.23332160466636
Mo          -4.17991753304528       -3.97627267327802        3.44260636299789
N           -3.33383385641094       -5.12969325069913        4.88502180429730
C           -3.22708347368305       -6.53809021042585        4.56832225021728
C           -4.00922396815944       -6.87212490847189        3.30289072944966
H           -3.62565458253626       -7.17563522305763        5.37801945151652
H           -2.17495517548921       -6.84342782669813        4.42339370846938
H           -5.06531883039741       -6.97138227100759        3.54923857902589
H           -3.65467662535816       -7.81691629191321        2.86116967518422
H           -6.85612921285807       -4.94756350810511        1.23111468957428
H           -6.84355968210739       -6.47088592927581        2.12665195620702
H           -4.70746874696046       -5.12841464044882        0.56980340944276
H           -4.95338431512156       -6.85932420694896        0.89002934399097
H           -1.20637798834553       -4.34910251092322        0.90492256028004
H           -2.87689591476260       -4.16447027591056        0.35903812577238
H           -1.82904532932693       -5.98540899872660        2.55332552506802
H           -2.45652415579136       -6.50015647502316        0.96413267659960
C           -1.93028845038812       -2.07286854611119        1.88341687932312
C           -0.37889912768855       -2.12864223217942        1.76505526299116
C            0.36009188608614       -2.86331429612853        2.87843831773195
C            1.84105714332494       -2.98205380091214        2.51358371747794
C            2.67030828839536       -3.75598053157079        3.52238925400616
Cl           2.18054582329693       -5.47121986651383        3.57236816810023
C           -2.34648668958158       -1.03080439717545        2.93119876192933
C           -1.99196115692418        0.41538544089186        2.59339859358164
C           -2.60457900016740        0.80804747664365        1.25583885750275
C           -2.11638579601142       -0.14326350813514        0.17250865188110
C           -2.47434737889015       -1.58897139448215        0.50915503453391
C           -7.47592649742913       -4.77693014492685        3.92562652051314
C           -7.71280862240986       -6.12312640401868        4.69064743844792
C           -6.69910630799565       -6.38299184784182        5.79715000647243
C           -6.59497375678650       -7.85885090793032        6.18949753702620
C           -7.88062456641198       -8.36453333109099        6.82339607501964
Cl          -7.69111611268678      -10.05724019219961        7.36526865538861
C           -7.52441856799007       -3.62947945132176        4.94950496888887
C           -7.69479364502572       -2.25687329431812        4.29923683776884
C           -8.96453533068122       -2.18435281757597        3.46330185668084
C           -8.86097028489899       -3.23976966527723        2.37210745981453
C           -8.73301985115586       -4.61229652194779        3.02200272533925
C           -2.80268392022526       -4.82487215935031        6.22652671389115
C           -3.98101487507780       -4.93363856974911        7.23292341181434
C           -3.75596572850762       -4.45355238588630        8.66460290220656
C           -5.00137412446664       -4.70423652193698        9.51525235917117
C           -4.81690547847764       -4.26890869870863       10.95943898296098
Cl          -3.56112132659440       -5.24675578359169       11.77138833373813
C           -1.65864110736430       -5.75387362465288        6.69884114447624
C           -0.36090635027206       -5.39529742675396        5.98463964732154
C            0.18571462400805       -4.08284752825516        6.54842777131272
C           -0.95819177532445       -3.18812693177326        7.03099028455732
C           -2.22877405983280       -3.38770150653863        6.20517993545206
H           -0.12045222986974       -2.59815090800001        0.81328044713910
H           -0.00049826989522       -1.10875889685349        1.71822864661502
H           -0.07113683407487       -3.85472629502846        3.01581931067798
H            0.25736945889739       -2.31776217506103        3.81806708479285
H            1.93454062124273       -3.46680707317741        1.53867084496519
H            2.27406596888523       -1.98102331738107        2.42828302904658
H            2.54940035900262       -3.36404807527628        4.53265658598860
H            3.72685518118649       -3.74660562080276        3.25166739878250
H           -3.43298148412165       -1.09737287429611        2.99247353653894
H           -1.90495629891180       -1.30354637091498        3.89183630997762
H           -0.91004368273186        0.55519256313457        2.55707043419004
H           -2.37386131708510        1.06720779628331        3.38422518824069
H           -2.33921292992760        1.83714727839284        1.00340447824866
H           -3.69273297202524        0.74522947142614        1.32331388985627
H           -1.03647152912100       -0.03776165156476        0.05167066695640
H           -2.57851135954845        0.11714479241144       -0.78268834593739
H           -2.08987538914739       -2.22886724761327       -0.28619818587147
H           -3.56051110628547       -1.68073702228631        0.51760158881587
H           -8.72227359099506       -6.11754135146519        5.10559607124890
H           -7.66856940196941       -6.93807799384448        3.96489711808712
H           -6.96126067164063       -5.80257684449886        6.68430810464144
H           -5.72818074895783       -6.03764936419437        5.44034852128044
H           -5.77794331434644       -7.98787557043234        6.90341145519228
H           -6.36406443599492       -8.46350925702811        5.30947109590536
H           -8.70839133496438       -8.35566784176384        6.11579997750577
H           -8.14405542811052       -7.78044297167130        7.70631222044921
H           -6.60157952768071       -3.65856584721282        5.53278599627213
H           -8.36454069245275       -3.80487467939765        5.62766461179153
H           -7.70267773544208       -1.48173626020125        5.07200966617498
H           -6.86021838640898       -2.08645795887096        3.61877808663583
H           -9.06708502221367       -1.18932967810565        3.02620342777140
H           -9.84316814048074       -2.37395979451781        4.08556966431052
H           -7.98806026606633       -3.02669528911336        1.75197147282945
H           -9.74710070898325       -3.22116244194480        1.73288171203002
H           -8.76986005715013       -5.39509620102642        2.26510087936588
H           -9.60721690505274       -4.75462781965614        3.66402680457164
H           -4.81840716891618       -4.37290353318076        6.80644139686699
H           -4.27537323070276       -5.98392044600092        7.27587278432359
H           -2.92282624239323       -4.98764371226598        9.12042380694341
H           -3.52448840541908       -3.38691356093480        8.68211263937896
H           -5.25213029647405       -5.76651826489905        9.48924071724518
H           -5.84978669719461       -4.14901605981957        9.10500877419519
H           -4.49082525404784       -3.23059722822828       11.02335800813369
H           -5.73211407328406       -4.40462256597254       11.53554495160396
H           -1.90765780936632       -6.80327019715986        6.55825642199068
H           -1.50929431956878       -5.61875034705187        7.76962748573110
H           -0.56077509798579       -5.27892442055390        4.91902804625528
H            0.37686771286657       -6.19091809655707        6.10054725817645
H            0.86238567086278       -4.28475416228366        7.38175405815697
H            0.75885285499047       -3.56805541672226        5.77839640451858
H           -0.65707648191210       -2.13857445508243        6.96852150759044
H           -1.17051962135130       -3.39376500111375        8.08093285088476
H           -2.97766784962746       -2.69410486656050        6.58778480338492
H           -2.02056351483106       -3.15273195538298        5.15653161162898
N           -4.60023121061077       -2.00543043225580        4.84483879161242
H           -5.19723196876647       -1.34094137513399        4.36030890344719
H           -3.74705520282644       -1.52042023413842        5.10377381829080
H           -5.08183846767955       -2.27464438663585        5.69782061464357
N           -5.01218644576609       -2.99311908886294        2.12464422960080
N           -5.57909307197428       -2.39468244408379        1.34911202569309
116
 energy: -148.616244619237 gnorm: 0.001120909998 xtb: 6.5.1 (b24c23e)
N           -2.48657150192256       -3.36740708162127        2.28180571210501
C           -2.24879786742775       -4.35520643972210        1.25262787457052
C           -2.54881070257408       -5.75119901578540        1.76843227488163
N           -3.88173537337957       -5.77453350712401        2.35530181464098
C           -4.92651330027877       -5.85791462624877        1.35125519370122
C           -6.28950561961912       -5.52647331825360        1.98205674389552
N           -6.19359875542967       -4.80313649121449        3.23391657838128
Mo          -4.17932361284973       -3.97649710460290        3.44339659526165
N           -3.33272738066910       -5.12969471983991        4.88565635823891
C           -3.22642814450271       -6.53820743178737        4.56892373590562
C           -4.00837812175622       -6.87218559787943        3.30346869152677
H           -3.62536463686486       -7.17546845090290        5.37855211083091
H           -2.17445233485976       -6.84387107720450        4.42425771614126
H           -5.06456928971147       -6.97109015989750        3.54969558028582
H           -3.65393450377929       -7.81693149704467        2.86162770991387
H           -6.85421514109141       -4.94600703597944        1.23163972540782
H           -6.84305905591999       -6.47062012863115        2.12536148703747
H           -4.70587566125085       -5.12815007755125        0.57014618566336
H           -4.95183808871682       -6.85921817291689        0.89017986627069
H           -1.20575062695648       -4.34730515203389        0.90735035173723
H           -2.87589760835808       -4.16339521062737        0.36058996844347
H           -1.82803380158406       -5.98411049647234        2.55498363811425
H           -2.45435602416113       -6.49869969210336        0.96524201635256
C           -1.93226080845956       -2.07090257426931        1.88433291088772
C           -0.38125591423566       -2.12716765900103        1.76384234187622
C            0.35745961393315       -2.86323832405115        2.87695295946414
C            1.83847862370778       -2.98335864064776        2.51349626860987
C            2.66410461318864       -3.76478877884466        3.52009699198131
Cl           2.17114321331267       -5.47944819076967        3.55841549195876
C           -2.34679626455720       -1.02874079350185        2.93276091909455
C           -1.98994618741285        0.41696352397693        2.59507666696264
C           -2.60311939069695        0.81150476119842        1.25818102607459
C           -2.11966333926482       -0.14114314144523        0.17365316769185
C           -2.47913939693418       -1.58616504700993        0.51137191177908
C           -7.47496770191738       -4.77796088933505        3.92591817470906
C           -7.71168572713517       -6.12450116682845        4.69061822783735
C           -6.69925728529928       -6.38504410054602        5.79831401859916
C           -6.59474448803853       -7.86023862957440        6.19038263436544
C           -7.88098484932948       -8.36621325279854        6.82081771112916
Cl          -7.69351187132633      -10.05922035365380        7.36124666031765
C           -7.52487896398428       -3.62972509111325        4.94864087246639
C           -7.69237845049261       -2.25816933843849        4.29692272753658
C           -8.96153611510663       -2.18515687159021        3.46006466480067
C           -8.85831770667302       -3.24210312390887        2.37054135707406
C           -8.73167361050712       -4.61350417004077        3.02181220393800
C           -2.80130961941836       -4.82529932387240        6.22709911327529
C           -3.97933665140263       -4.93447178692116        7.23366163871226
C           -3.75486826490572       -4.45263737273940        8.66494747927968
C           -5.00150493547200       -4.70086551061674        9.51483575766283
C           -4.81863927295122       -4.26257088798070       10.95842958779089
Cl          -3.56252670292300       -5.23792493203796       11.77289514654462
C           -1.65685362930115       -5.75414333007584        6.69893969183264
C           -0.35949476769823       -5.39513642818044        5.98442469550144
C            0.18671410567202       -4.08218319847594        6.54737477344337
C           -0.95721102153160       -3.18823627278277        7.03107846622146
C           -2.22790383725160       -3.38801235203131        6.20582558531799
H           -0.12379018641153       -2.59605608543085        0.81134183143903
H           -0.00219707248421       -1.10729675593930        1.71724743219311
H           -0.07433994444975       -3.85456593083434        3.01368684386284
H            0.25479991661325       -2.31838975900247        3.81684271738813
H            1.93231081079132       -3.46317662870603        1.53632282182124
H            2.27355805426835       -1.98270442833773        2.43408536306960
H            2.54127667083884       -3.37939494947955        4.53227019049921
H            3.72121565859363       -3.75596076066739        3.25295319303908
H           -3.43339334968251       -1.09365984026632        2.99451758563871
H           -1.90528000491135       -1.30208807223014        3.89323407216483
H           -0.90779913270924        0.55457072662916        2.55776851650130
H           -2.36986343730402        1.06957634172085        3.38632010428177
H           -2.33469415443896        1.83994461561211        1.00598879627254
H           -3.69159899569339        0.75190262245018        1.32707927881005
H           -1.03992009836707       -0.03781810001588        0.04896286218314
H           -2.58447967567191        0.11982892706824       -0.78011011956966
H           -2.09767106087130       -2.22690475935887       -0.28518615029576
H           -3.56570682010113       -1.67647083728989        0.52272351909134
H           -8.72181719987327       -6.11987962016079        5.10415392590994
H           -7.66542567062316       -6.93946071776761        3.96481732139956
H           -6.96195373640555       -5.80537807169778        6.68513353318986
H           -5.72862385686326       -6.03943268696082        5.44360273694223
H           -5.77959269804027       -7.98868262044670        6.90656252615581
H           -6.36288774472899       -8.46557653577470        5.31137634445028
H           -8.70787851006193       -8.35719938088405        6.11250855420065
H           -8.14440678056925       -7.78348284429694        7.70375259740819
H           -6.60440027791319       -3.65828152739174        5.53483118891838
H           -8.36641213470621       -3.80434132683052        5.62426647177720
H           -7.69911631914590       -1.48213970851145        5.06824072709331
H           -6.85759059184341       -2.09027281850004        3.61690855405574
H           -9.06279416478166       -1.19077013989708        3.02088660296377
H           -9.84075577748040       -2.37304489274871        4.08206803398406
H           -7.98578469449896       -3.02911162678035        1.75099177998338
H           -9.74390169661764       -3.22414134219368        1.73111417359062
H           -8.76953392824535       -5.39699412502088        2.26616631728607
H           -9.60590381385872       -4.75395927999257        3.66368934711761
H           -4.81730591037501       -4.37497132734059        6.80668693753874
H           -4.27258758922115       -5.98512735444804        7.27749919694308
H           -2.92247017604762       -4.98712312813467        9.12196161500013
H           -3.52240413110751       -3.38610616302504        8.68134621421913
H           -5.25266554386198       -5.76304702875632        9.49075736765344
H           -5.84922583676440       -4.14607754967462        9.10248082252549
H           -4.49362235836857       -3.22380250491764       11.02084208145553
H           -5.73427330307513       -4.39788143209340       11.53397371165358
H           -1.90567338911605       -6.80356787668464        6.55812671396081
H           -1.50732787412812       -5.61919089252048        7.76974424807649
H           -0.55978133518844       -5.27937486066681        4.91881283735671
H            0.37882103967032       -6.19035469876202        6.10021658113591
H            0.86468303358847       -4.28315260915721        7.37980320704881
H            0.75821554194457       -3.56684380065537        5.77661336244501
H           -0.65649628521618       -2.13846685058810        6.96895903399401
H           -1.16868869608320       -3.39451276284843        8.08107506165468
H           -2.97689120289524       -2.69489112818131        6.58886662375509
H           -2.02040882342286       -3.15275699521351        5.15718512787885
N           -4.59961700888793       -2.00654712931732        4.84564158380759
H           -5.19781960344528       -1.34109965607238        4.36366682505576
H           -3.74730153539681       -1.52101450792248        5.10604006246406
H           -5.08050911430444       -2.27858802236633        5.69802764957150
N           -5.01100859713502       -2.99275899375674        2.12578810972403
N           -5.58004701479119       -2.39820277359570        1.34843916621117
116
 energy: -148.616275466458 gnorm: 0.002139610190 xtb: 6.5.1 (b24c23e)
N           -2.48797165422158       -3.36394078935738        2.28430376722485
C           -2.24761878577830       -4.35190432995044        1.25564156925214
C           -2.54572225718931       -5.74863577575106        1.77111229746835
N           -3.87915809950612       -5.77436394529960        2.35667653544373
C           -4.92325614021641       -5.85800684710478        1.35189335325474
C           -6.28666564137031       -5.52643634417693        1.98216233607660
N           -6.19111188673620       -4.80559845188030        3.23550700210052
Mo          -4.17799989531870       -3.97751800248931        3.44381968757242
N           -3.33069716264270       -5.12946740932517        4.88708701381079
C           -3.22472086667005       -6.53824669413541        4.57045533531430
C           -4.00610074044633       -6.87212884930061        3.30481541853304
H           -3.62431632941646       -7.17488383485414        5.38010852384849
H           -2.17291444345250       -6.84430612403870        4.42636746134872
H           -5.06246251442132       -6.97045873632679        3.55069761146716
H           -3.65178203829139       -7.81677620123502        2.86285935627961
H           -6.84995892923971       -4.94361832290850        1.23278539685454
H           -6.84121066705038       -6.47033769008461        2.12298183845298
H           -4.70233386065935       -5.12813581358802        0.57081406098997
H           -4.94797251541661       -6.85931312798994        0.89096364653028
H           -1.20449721142376       -4.34299249980201        0.91160833367752
H           -2.87417468105126       -4.16094426535693        0.36353902068104
H           -1.82532539638027       -5.98072365209071        2.55829069869185
H           -2.44923431308541       -6.49560929703673        0.96769255643570
C           -1.93606585012159       -2.06633356653888        1.88631388936621
C           -0.38580170416658       -2.12345389763700        1.76174946900252
C            0.35181807248525       -2.86289430058543        2.87385365530735
C            1.83302788752347       -2.98614686816860        2.51303589712004
C            2.65001557554554       -3.78587058239071        3.51326152743446
Cl           2.14842243729106       -5.49882589877999        3.52368153739287
C           -2.34747295998477       -1.02443093449224        2.93638348258147
C           -1.98566923624632        0.42023976044241        2.59917073805562
C           -2.59974329674173        0.81908798239751        1.26374814727438
C           -2.12625972456675       -0.13585590410185        0.17652851284154
C           -2.48850554443226       -1.57964112139538        0.51610806319893
C           -7.47306393152253       -4.78074854751512        3.92653686536111
C           -7.70938472042390       -6.12785109475096        4.69059088357347
C           -6.69937672731718       -6.38865260438283        5.80080976058870
C           -6.59473533116921       -7.86337597120323        6.19212271004054
C           -7.88286978382050       -8.37074541514321        6.81599271320373
Cl          -7.69852353219330      -10.06504161980037        7.35217452747512
C           -7.52598352590002       -3.63137907612011        4.94763923576854
C           -7.68752840015716       -2.26148709154734        4.29220874650466
C           -8.95509908796384       -2.18696284037037        3.45279848861545
C           -8.85293360884867       -3.24729684060103        2.36644363688779
C           -8.72891076539806       -4.61672875121231        3.02120790878612
C           -2.79858480593372       -4.82566621216714        6.22833496822339
C           -3.97595181925562       -4.93610398728798        7.23538680248405
C           -3.75256555771048       -4.45066939295197        8.66573362907114
C           -5.00163601908192       -4.69326613721693        9.51401952702356
C           -4.82225598089475       -4.24764724762461       10.95593576650476
Cl          -3.56587994914760       -5.21686925144865       11.77738143361086
C           -1.65318177625459       -5.75412905475963        6.69920561467102
C           -0.35650783769847       -5.39437249831208        5.98396102141548
C            0.18893204562292       -4.08037469308783        6.54522840051994
C           -0.95504517147335       -3.18818887633053        7.03170967701124
C           -2.22606128543812       -3.38809350378853        6.20746796379023
H           -0.13040405524194       -2.59099126471112        0.80788762566283
H           -0.00492181415796       -1.10402803926649        1.71608736199902
H           -0.08208581903257       -3.85367577647066        3.00853892974251
H            0.24890438426135       -2.31956458550722        3.81440946465727
H            1.92764040339067       -3.45428859419371        1.53036985563355
H            2.27402874874675       -1.98689939648296        2.44789376783842
H            2.52288887697109       -3.41531302029793        4.53018315503343
H            3.70848460975997       -3.77833274646212        3.25289430738753
H           -3.43429175556340       -1.08587291966755        2.99877687883737
H           -1.90633655895859       -1.29942022361385        3.89655949459146
H           -0.90308070660053        0.55345175245294        2.56000599717683
H           -2.36142306386916        1.07407051961127        3.39150303334849
H           -2.32501245539292        1.84598748868557        1.01183396133834
H           -3.68863568873884        0.76673049014753        1.33563000684394
H           -1.04699088423094       -0.03657220739242        0.04416909089080
H           -2.59674945314549        0.12676401304308       -0.77407855090232
H           -2.11363843797977       -2.22175464856918       -0.28290401722687
H           -3.57551005256929       -1.66661392401220        0.53319266967645
H           -8.72071268873379       -6.12502151784506        5.10133187850554
H           -7.65952708266143       -6.94247909603769        3.96446640732448
H           -6.96453315812201       -5.81024402840003        6.68724229201036
H           -5.72873795974516       -6.04215642590817        5.44935878472433
H           -5.78319988999605       -7.99052000402506        6.91272473568558
H           -6.35822194127843       -8.46886645961815        5.31468863386435
H           -8.70724275287437       -8.36032396542742        6.10502247160585
H           -8.14844175692767       -7.79082012048545        7.69933662720137
H           -6.60967815074796       -3.65966232636539        5.53975450650909
H           -8.37133334284771       -3.80412131983067        5.61809950807739
H           -7.69279283436109       -1.48323418171532        5.06079127889070
H           -6.85147915740669       -2.09879158708232        3.61317655208316
H           -9.05244090224583       -1.19378927685612        3.00968597083288
H           -9.83596442935611       -2.36998106467703        4.07396650792405
H           -7.98041036367159       -3.03583838574734        1.74743455847818
H           -9.73791372778227       -3.23015987779912        1.72660521107084
H           -8.76816069162379       -5.40214176757621        2.26804731435830
H           -9.60334325099551       -4.75351718133218        3.66317145136443
H           -4.81537501398230       -4.37951789373593        6.80738077889430
H           -4.26663950459371       -5.98750682160543        7.28137622665087
H           -2.92205053188431       -4.98598861298601        9.12546819979201
H           -3.51764256539396       -3.38458101924903        8.67963102182655
H           -5.25380518204825       -5.75524938468757        9.49475973080211
H           -5.84766985515363       -4.13957982671688        9.09662163173196
H           -4.49945179603118       -3.20789878612708       11.01424645611053
H           -5.73885521447593       -4.38180317148914       11.53025021131250
H           -1.90150603444959       -6.80363816532836        6.55799855200646
H           -1.50339413724500       -5.61953468459716        7.77006931826315
H           -0.55754685786461       -5.27992067900109        4.91832133620179
H            0.38274371667351       -6.18885182152902        6.09975920222507
H            0.86982959679671       -4.27958626271567        7.37564414877672
H            0.75680059086742       -3.56373085533798        5.77274452175550
H           -0.65510089545645       -2.13803429318813        6.97070883666344
H           -1.16489127294438       -3.39614029361952        8.08171598827736
H           -2.97519641726375       -2.69579290531827        6.59149518411179
H           -2.01972352716257       -3.15215106282613        5.15882507951324
N           -4.59853762784422       -2.00987842454884        4.84831925269504
H           -5.19889007044766       -1.34289507733626        4.37074518360596
H           -3.74731346751358       -1.52345906098601        5.11052864069958
H           -5.07779494961312       -2.28673175689332        5.70004247885049
N           -5.01173629284967       -2.99607421389142        2.12630642238461
N           -5.58275883095582       -2.40273893388471        1.34938936178401
116
 energy: -148.616296914077 gnorm: 0.001877531958 xtb: 6.5.1 (b24c23e)
N           -2.48929796479417       -3.36229443735368        2.28480194194393
C           -2.24755738851965       -4.35012255709156        1.25612568891135
C           -2.54441807377072       -5.74698936107312        1.77212237345008
N           -3.87795693256841       -5.77338687510242        2.35753895188675
C           -4.92154241351302       -5.85877476132516        1.35228828803469
C           -6.28520817491372       -5.52780034955535        1.98225419755646
N           -6.18975097931123       -4.80732706162354        3.23591059017360
Mo          -4.17788923111989       -3.97636338298273        3.44595404882871
N           -3.32911392663412       -5.12918211620489        4.88776140066257
C           -3.22321843339317       -6.53811374071634        4.57105977236196
C           -4.00450459927191       -6.87161992842702        3.30541090711113
H           -3.62306302100496       -7.17450094652450        5.38074896335101
H           -2.17143982188653       -6.84407810708792        4.42708823697774
H           -5.06086778040817       -6.96997752015424        3.55127107707975
H           -3.65009622501360       -7.81614534209809        2.86330092659449
H           -6.84837253301506       -4.94479858104604        1.23303607595771
H           -6.83963664590074       -6.47181876375744        2.12262629744798
H           -4.70099366710583       -5.12917496224404        0.57087724157970
H           -4.94536781944815       -6.86035989211725        0.89195552008427
H           -1.20445503218431       -4.34050874800749        0.91221741294928
H           -2.87426446729943       -4.15979731150196        0.36408320254268
H           -1.82399515829578       -5.97807378550479        2.55957999798482
H           -2.44686718519865       -6.49410379994403        0.96896527337025
C           -1.93763879037999       -2.06431144713117        1.88721813639696
C           -0.38761885442671       -2.12154726920214        1.76125883820866
C            0.34960606217865       -2.86277021935124        2.87249784030438
C            1.83076866929802       -2.98776293207597        2.51225855218192
C            2.64355672457283       -3.79804627496206        3.50757729665616
Cl           2.13628380859704       -5.50941527011103        3.50315171395472
C           -2.34812330519208       -1.02286236890002        2.93814278608053
C           -1.98434894673832        0.42153872471301        2.60193940070272
C           -2.59839574318976        0.82261142948751        1.26712981747347
C           -2.12844701433892       -0.13262708557571        0.17866477285396
C           -2.49174905977299       -1.57616398086093        0.51816336159672
C           -7.47210977376355       -4.78256513703230        3.92618613374155
C           -7.70886489670585       -6.12971091497089        4.69024341333580
C           -6.69982698574215       -6.39011493239355        5.80160095012693
C           -6.59490744606084       -7.86487563696186        6.19298032954570
C           -7.88420036807355       -8.37371220842002        6.81369998749249
Cl          -7.70043922264848      -10.06861920674622        7.34767847021870
C           -7.52635498356102       -3.63310207207945        4.94712800629910
C           -7.68612027595676       -2.26343365863895        4.29064356485822
C           -8.95249019966467       -2.18781884767700        3.44937890674665
C           -8.85103214270954       -3.24974762651413        2.36434111661163
C           -8.72768746150947       -4.61868351002222        3.02040085934662
C           -2.79723469067651       -4.82557250095783        6.22914058545773
C           -3.97451836746774       -4.93662654332466        7.23627775155894
C           -3.75167345913323       -4.44972723777662        8.66621609658720
C           -5.00176531751755       -4.68937269103281        9.51384001534344
C           -4.82401044180043       -4.23926110450556       10.95455689659978
Cl          -3.56780604854264       -5.20516393215083       11.78030832364708
C           -1.65139827631811       -5.75372849428185        6.69976334180329
C           -0.35500315387768       -5.39361191301738        5.98416324875519
C            0.19011941589742       -4.07916832446182        6.54477048702981
C           -0.95395797626570       -3.18797958148888        7.03274939214780
C           -2.22506064592526       -3.38780280241768        6.20872548589553
H           -0.13308600525584       -2.58831398091128        0.80680181199522
H           -0.00577315823834       -1.10246618274305        1.71630510726326
H           -0.08559265824650       -3.85313187905846        3.00598090584336
H            0.24683555724482       -2.32026428053717        3.81351677363050
H            1.92531491497426       -3.44906032274287        1.52636109857822
H            2.27542958176940       -1.98965889488093        2.45520113609780
H            2.51532936574775       -3.43542210586732        4.52717991085611
H            3.70250164588733       -3.79181172362412        3.24922535029567
H           -3.43504758002312       -1.08301199380024        3.00026291855460
H           -1.90761021732091       -1.29900237051369        3.89825660364202
H           -0.90161457750382        0.55317712323639        2.56242453410717
H           -2.35872109761011        1.07536617968756        3.39490086743891
H           -2.32127961966005        1.84893315228067        1.01564067126043
H           -3.68731151578865        0.77313646728051        1.33990163226362
H           -1.04943249876416       -0.03453879703854        0.04379308378470
H           -2.60085798316926        0.13119390853025       -0.77067014190389
H           -2.11931276477896       -2.21836472642416       -0.28184945987228
H           -3.57876430248405       -1.66171573373502        0.53710823907008
H           -8.72055554935646       -6.12697381111339        5.10000672015505
H           -7.65822044618151       -6.94428897543736        3.96416475016443
H           -6.96665832536159       -5.81204120983410        6.68790284705774
H           -5.72896188336741       -6.04294649945109        5.45115739448992
H           -5.78507445807412       -7.99102659346731        6.91576932165196
H           -6.35486628262676       -8.47013589847334        5.31629124885258
H           -8.70703650528928       -8.36226331508423        6.10089272610035
H           -8.15193261568065       -7.79495740415904        7.69727099974993
H           -6.61118323979807       -3.66144081884940        5.54109123832933
H           -8.37319739404741       -3.80528552903104        5.61592106988292
H           -7.69201585314818       -1.48473989201921        5.05883009397592
H           -6.84895036776491       -2.10178465266160        3.61270562783133
H           -9.04689920236909       -1.19511198798066        3.00457760660011
H           -9.83462115373266       -2.36775637273071        4.06961435717977
H           -7.97859179219021       -3.03925232827324        1.74480588222424
H           -9.73633828134151       -3.23276809284720        1.72482349761612
H           -8.76711950270247       -5.40483825331260        2.26794796022368
H           -9.60231131197890       -4.75438851265306        3.66240782056423
H           -4.81456087299861       -4.38134753125978        6.80777362890879
H           -4.26413770652507       -5.98829126080854        7.28316267965179
H           -2.92225160074292       -4.98557954175859        9.12726148649763
H           -3.51532255526337       -3.38397637679810        8.67901374858953
H           -5.25432128492295       -5.75130169453524        9.49759305382829
H           -5.84704010143089       -4.13662005853947        9.09370933252387
H           -4.50191114028225       -3.19914085643200       11.01005769522726
H           -5.74105108511799       -4.37229242008734       11.52843439514588
H           -1.89940790528311       -6.80330886061709        6.55855898322910
H           -1.50166005229550       -5.61910261171858        7.77064218678654
H           -0.55629161402802       -5.27968985513268        4.91849904472216
H            0.38454123789273       -6.18783980356204        6.10005641332469
H            0.87243453787666       -4.27770639485329        7.37419444301888
H            0.75622925377880       -3.56175223724453        5.77147461317695
H           -0.65438195207499       -2.13766424380475        6.97260224803189
H           -1.16317936615824       -3.39701110599498        8.08266542107758
H           -2.97426386150491       -2.69576100745892        6.59308283780494
H           -2.01893743398596       -3.15147883798626        5.16013286377475
N           -4.59859374890379       -2.01072585400884        4.84972469258193
H           -5.19965414868194       -1.34288868054278        4.37418811742641
H           -3.74713649115768       -1.52458632514179        5.11184314078557
H           -5.07664366532678       -2.28941146915166        5.70156993163596
N           -5.01168013843107       -2.99650869733519        2.12737631520630
N           -5.58328647415308       -2.40538878469526        1.34919976507804
116
 energy: -148.616353638339 gnorm: 0.002398279177 xtb: 6.5.1 (b24c23e)
N           -2.49097017211563       -3.35628602576436        2.28616148899278
C           -2.24821750900397       -4.34352691178051        1.25667201333624
C           -2.53920318259028       -5.74122177810775        1.77460994002495
N           -3.87269561108489       -5.77214337646728        2.35978016571598
C           -4.91547798439463       -5.86260768871735        1.35418748568191
C           -6.27997146407711       -5.53427411251383        1.98340284410288
N           -6.18662868875085       -4.81354080349210        3.23738127963862
Mo          -4.17716588813002       -3.97563413043325        3.44779606411445
N           -3.32511424767260       -5.12697600590843        4.89025890753122
C           -3.21695446045860       -6.53640644485270        4.57358025119727
C           -3.99727648591910       -6.87066998973144        3.30800017763719
H           -3.61689008725530       -7.17223303804621        5.38354099203984
H           -2.16482541555243       -6.84074412278081        4.43021281341141
H           -5.05355263258583       -6.96983903180496        3.55380676485387
H           -3.64179072814624       -7.81469772132601        2.86588805743545
H           -6.84390209443362       -4.95260721665127        1.23402727569308
H           -6.83270365802445       -6.47925324896422        2.12358013261221
H           -4.69698198983690       -5.13411577328657        0.57134283496042
H           -4.93586624278428       -6.86519783480545        0.89613082497254
H           -1.20600727173698       -4.33091464585851        0.91058998676550
H           -2.87737738784198       -4.15512561290326        0.36593599002892
H           -1.81793127954586       -5.96784255362307        2.56257248934955
H           -2.43806433999840       -6.48902171876211        0.97263512806754
C           -1.94135863901778       -2.05673093134135        1.89022414948193
C           -0.39204286275173       -2.11420190883458        1.76077168201363
C            0.34368964311048       -2.86233204461156        2.86831540361203
C            1.82428111058809       -2.99375735654580        2.50829158913952
C            2.62269143817046       -3.84374335267287        3.48305876884266
Cl           2.09255884663388       -5.54796038035520        3.42581349763620
C           -2.35056746718806       -1.01811663148082        2.94445661213938
C           -1.98178995691198        0.42594266617181        2.61305304016079
C           -2.59491625333873        0.83422486955756        1.27994048998372
C           -2.13361850012901       -0.12027757981011        0.18733983134498
C           -2.49959381353918       -1.56376899071825        0.52448503072329
C           -7.47027514545267       -4.78923327396408        3.92465435768498
C           -7.70886400806137       -6.13635119686079        4.68904402450406
C           -6.70239626889728       -6.39453447018330        5.80364573682267
C           -6.59584224532033       -7.86967924678827        6.19572090196772
C           -7.88919672233392       -8.38493069558115        6.80543965637980
Cl          -7.70565485123243      -10.08171705125783        7.33194273986930
C           -7.52776018373485       -3.63996357403182        4.94564413730254
C           -7.68364723895393       -2.27023809401849        4.28694980598840
C           -8.94516082593199       -2.19079952060861        3.43837814796446
C           -8.84607025250154       -3.25761167270899        2.35728042440721
C           -8.72455668826588       -4.62560005015635        3.01685689110623
C           -2.79340978312019       -4.82388316704654        6.23194611428729
C           -3.97049055430235       -4.93738687870522        7.23939425952563
C           -3.74905195918102       -4.44647241105393        8.66812788322113
C           -5.00230979755832       -4.67588707039537        9.51375529874453
C           -4.82988371280146       -4.20854468750463       10.94962264195338
Cl          -3.57485613211459       -5.16251233338205       11.79168663142055
C           -1.64609475509178       -5.75097178453540        6.70204575443678
C           -0.35020589740205       -5.38994030765812        5.98566172554832
C            0.19393751062153       -4.07418589775500        6.54455329079562
C           -0.95070841903016       -3.18657175624533        7.03754306489542
C           -2.22200355137284       -3.38550303795122        6.21356411667061
H           -0.14025587188442       -2.57791269227466        0.80422728346964
H           -0.00743023418001       -1.09625120175809        1.71905904085024
H           -0.09646913213168       -3.85102578905309        2.99733130396079
H            0.24244411736513       -2.32302465109590        3.81136055104617
H            1.91699649972099       -3.42889016012538        1.50996376245676
H            2.28262719596069       -2.00028694261258        2.48114458078053
H            2.49381264805444       -3.50968518307899        4.51264668180066
H            3.68275088452523       -3.84363286598771        3.22871966359771
H           -3.43783885843035       -1.07534999257120        3.00444669093553
H           -1.91258616968953       -1.29870258311459        3.90442479640309
H           -0.89870301585354        0.55368894908237        2.57356455521401
H           -2.35319636358389        1.07841421271940        3.40835471190741
H           -2.31146820379700        1.85917854007702        1.03062129885320
H           -3.68370059976149        0.79249414593494        1.35449884172150
H           -1.05532091108418       -0.02479460036870        0.04695061370559
H           -2.61037659102844        0.14801288040713       -0.75858371000744
H           -2.13318295624232       -2.20511310833823       -0.27844649934677
H           -3.58636678399444       -1.64564240600020        0.54774915915488
H           -8.72140144847883       -6.13278402253632        5.09630233731937
H           -7.65694540366975       -6.95103440219662        3.96347691025803
H           -6.97491290083330       -5.81711222539505        6.68952795669446
H           -5.73053092842274       -6.04498510430110        5.45564861034362
H           -5.79194542228659       -7.99185092287867        6.92613155390556
H           -6.34242491456567       -8.47365551299565        5.32146325885248
H           -8.70618023301135       -8.37013543997201        6.08551506615454
H           -8.16623119678744       -7.81002277457941        7.68966575183517
H           -6.61436727674217       -3.66867757397674        5.54315109980755
H           -8.37810046785964       -3.81103235491766        5.61104979454460
H           -7.69401586566817       -1.49137637365545        5.05550617418410
H           -6.84200088783948       -2.10933404690702        3.61375011154877
H           -9.02836412344447       -1.19945874722277        2.98827979799080
H           -9.83231504909399       -2.35978504824566        4.05443746849384
H           -7.97399585326851       -3.05074138040964        1.73499785124957
H           -9.73315988991475       -3.24072114257802        1.71945869621877
H           -8.76342551393899       -5.41351679996438        2.26566804929489
H           -9.60020833423570       -4.75912988443137        3.65843083408557
H           -4.81248549042115       -4.38602883165915        6.80953655808004
H           -4.25691332853846       -5.98978951608819        7.28864165547353
H           -2.92352057536206       -4.98455933616930        9.13328073041271
H           -3.50743738375249       -3.38202280189297        8.67762853025853
H           -5.25576259386615       -5.73775917172248        9.50903785917911
H           -5.84535940233485       -4.12728926771862        9.08386887156477
H           -4.50941810135156       -3.16735555112443       10.99384634284276
H           -5.74842252381105       -4.33637598592081       11.52229409082506
H           -1.89297529018346       -6.80082556049498        6.56100047988830
H           -1.49650351322032       -5.61620384039595        7.77297611288887
H           -0.55191603113187       -5.27753985424874        4.91990137221690
H            0.38998261418087       -6.18355896300832        6.10215007425706
H            0.88080650054279       -4.27080663435173        7.37076228645579
H            0.75445564115558       -3.55393671051221        5.76881362111010
H           -0.65227476744032       -2.13576706611860        6.98106039655909
H           -1.15826335874075       -3.39985025387867        8.08693335263220
H           -2.97134237772229       -2.69393537302780        6.59877707490837
H           -2.01569682404685       -3.14792533011889        5.16524454377249
N           -4.59837246270445       -2.01567220473067        4.85552507097352
H           -5.20073039251631       -1.34541302163472        4.38502336722050
H           -3.74520646267935       -1.53090586151836        5.11544393928588
H           -5.07260983421902       -2.29720783097033        5.70871560780743
N           -5.01446415845451       -3.00149702402949        2.12727217373238
N           -5.58440495885105       -2.40917591773224        1.34958313961927
116
 energy: -148.616382640222 gnorm: 0.002068077660 xtb: 6.5.1 (b24c23e)
N           -2.49205460819255       -3.35406282137249        2.28625098734683
C           -2.24947240577057       -4.34047812771166        1.25595335481660
C           -2.53745950218527       -5.73853841745319        1.77461247130531
N           -3.87066943477597       -5.77160794469053        2.36024920459966
C           -4.91348266725998       -5.86453869530352        1.35494709634756
C           -6.27836165109832       -5.53796512321074        1.98407503518657
N           -6.18620437990823       -4.81580876542511        3.23742434879458
Mo          -4.17720193187812       -3.97589785767897        3.44941887672409
N           -3.32293225348565       -5.12607647718256        4.89152722084771
C           -3.21342069025627       -6.53526980060596        4.57429817036806
C           -3.99345952284899       -6.87012385771080        3.30872815339623
H           -3.61276884382556       -7.17161394597966        5.38416287583031
H           -2.16099373502582       -6.83845077500356        4.43081749817901
H           -5.04956104765132       -6.97061281474304        3.55482054450751
H           -3.63692317505465       -7.81374875786461        2.86655625447111
H           -6.84335812795499       -4.95804305792421        1.23410326297518
H           -6.82956022960368       -6.48370730263484        2.12535550725783
H           -4.69633484786959       -5.13649172843934        0.57134159371285
H           -4.93227920139107       -6.86762779756742        0.89782827200288
H           -1.20788679698071       -4.32624908889895        0.90785393858984
H           -2.88047953412145       -4.15279149166092        0.36620618839450
H           -1.81541981175897       -5.96306244060186        2.56249821384451
H           -2.43502014863580       -6.48673303852300        0.97316626375616
C           -1.94247076008670       -2.05410998718268        1.89174280809474
C           -0.39307185993901       -2.11147881202035        1.76178206358949
C            0.34228013011208       -2.86291564344843        2.86720502275092
C            1.82229808642947       -2.99750209016958        2.50597232624311
C            2.61574515940776       -3.86319710986181        3.47063240357067
Cl           2.07460922386105       -5.56308615901470        3.39454932390616
C           -2.35166689974115       -1.01696848970034        2.94737233788321
C           -1.98219880309452        0.42744114964113        2.61841903598995
C           -2.59473671404940        0.83794119352082        1.28574136466174
C           -2.13395672653642       -0.11538366997432        0.19183740432893
C           -2.50072744609891       -1.55931164586774        0.52677645812823
C           -7.47021894574955       -4.79163358935085        3.92374699314011
C           -7.70924017335340       -6.13858288927581        4.68850857159987
C           -6.70358897910384       -6.39607288667962        5.80392926436425
C           -6.59601415325593       -7.87116636040278        6.19636463887027
C           -7.89068008142648       -8.38900561398308        6.80138817797911
Cl          -7.70620872790135      -10.08616630431897        7.32587782748304
C           -7.52820892852140       -3.64235227676769        4.94462890869194
C           -7.68416048480747       -2.27229799041439        4.28646017399921
C           -8.94381814430989       -2.19260293732298        3.43527608422544
C           -8.84493807895790       -3.26016539496229        2.35499612835150
C           -8.72384197851231       -4.62806519220748        3.01505973554313
C           -2.79186992827954       -4.82287664873604        6.23341147480011
C           -3.96932848609312       -4.93697589222843        7.24051980181639
C           -3.74833735982571       -4.44496247991901        8.66892287145694
C           -5.00267417605179       -4.67062646054261        9.51385824053865
C           -4.83214561572747       -4.19598511603370       10.94750658101117
Cl          -3.57788464171977       -5.14531720614116       11.79605464824193
C           -1.64415143325324       -5.74942506108747        6.70352946204707
C           -0.34826826896562       -5.38790766916139        5.98714542164659
C            0.19528494073224       -4.07165796306420        6.54569222764630
C           -0.94974019366905       -3.18538521406627        7.04007314561700
C           -2.22084193582117       -3.38427073527568        6.21565121987149
H           -0.14195656678178       -2.57319755693959        0.80410609661091
H           -0.00797349454243       -1.09368206771430        1.72227749841864
H           -0.09998808476356       -3.85084751335103        2.99459766023157
H            0.24288701365780       -2.32525302583843        3.81142236806009
H            1.91305949007527       -3.42149944427050        1.50268078752801
H            2.28602633320081       -2.00645783890242        2.49028424526577
H            2.48921180096012       -3.54018393307054        4.50393721169119
H            3.67572418430814       -3.86717025837122        3.21577016589403
H           -3.43904799794859       -1.07396682865908        3.00677761905993
H           -1.91410321538453       -1.29933001503607        3.90700351128230
H           -0.89903403763435        0.55482133922287        2.57956198494303
H           -2.35366478854764        1.07875855506379        3.41462901608817
H           -2.31020773474430        1.86295005160931        1.03776887397168
H           -3.68353053771316        0.79728499328407        1.36014754733233
H           -1.05559361672133       -0.02025420095860        0.05173769871117
H           -2.61044185912665        0.15456223292726       -0.75373613912022
H           -2.13464082856502       -2.19967309533604       -0.27698952575875
H           -3.58750281584006       -1.64064683502922        0.55012989636247
H           -8.72199144047537       -6.13449957785922        5.09523726335060
H           -7.65714894719231       -6.95371076433206        3.96349227870817
H           -6.97705428609861       -5.81856020624822        6.68947581014974
H           -5.73140968216376       -6.04617965669286        5.45668319913516
H           -5.79437032857406       -7.99218922462019        6.92937583123897
H           -6.33887550974183       -8.47442677220121        5.32273694563788
H           -8.70545716310435       -8.37405671152846        6.07894587973354
H           -8.17137374036102       -7.81566740664049        7.68562492990144
H           -6.61449103897755       -3.67082253418773        5.54172403678947
H           -8.37831599787999       -3.81366309614674        5.61038976513508
H           -7.69673889611014       -1.49413367255235        5.05584011781817
H           -6.84110214365866       -2.11017962050494        3.61522443588044
H           -9.02417012307772       -1.20160490601846        2.98403310451337
H           -9.83257283216786       -2.35930938088956        4.04949235706649
H           -7.97290385051749       -3.05415430610166        1.73221403679621
H           -9.73221745729940       -3.24329107988160        1.71732852890535
H           -8.76202092881572       -5.41595140974357        2.26371916387777
H           -9.60007671881318       -4.76173338793764        3.65585727251593
H           -4.81158851906535       -4.38636664372666        6.81021365741243
H           -4.25518535118777       -5.98950615931833        7.29006137668558
H           -2.92420250688226       -4.98400609564764        9.13542708114630
H           -3.50472949318126       -3.38097392767683        8.67736949204175
H           -5.25608505942744       -5.73251531957079        9.51394029049078
H           -5.84524266503955       -4.12422289159747        9.08024459495315
H           -4.51179021488866       -3.15456924600576       10.98666569299396
H           -5.75131497404128       -4.32096681159397       11.51976691953184
H           -1.89053444033579       -6.79940220868010        6.56262188712306
H           -1.49477842621181       -5.61441863655232        7.77444171182473
H           -0.54989838416182       -5.27587762083892        4.92135633306962
H            0.39207097252225       -6.18132541817684        6.10399719838099
H            0.88332093202110       -4.26764242431288        7.37107249566873
H            0.75432794912740       -3.55038671082192        5.76945974105816
H           -0.65199215558299       -2.13434476989587        6.98500416469939
H           -1.15714161211662       -3.40027895886992        8.08913935211135
H           -2.97029049939291       -2.69286789420332        6.60091862572704
H           -2.01410318484580       -3.14632836619668        5.16750690264437
N           -4.59913258653618       -2.01652725261147        4.85682183824097
H           -5.20193096819040       -1.34556846820554        4.38804319423489
H           -3.74516516188938       -1.53260946516814        5.11562051554107
H           -5.07189904590445       -2.29900473422710        5.71055643396416
N           -5.01432125776690       -3.00227778386602        2.12820104882244
N           -5.58361046394743       -2.41191848258187        1.34833400655122
116
 energy: -148.616443708357 gnorm: 0.001418870687 xtb: 6.5.1 (b24c23e)
N           -2.49286765537122       -3.34984282094608        2.28671752827008
C           -2.25309440487927       -4.33388863898122        1.25392174705979
C           -2.53414766694596       -5.73293822908076        1.77362308335727
N           -3.86631573008399       -5.77123936722999        2.36120620098184
C           -4.90969578302906       -5.86867491914112        1.35702965069879
C           -6.27533107979801       -5.54620941000720        1.98613065638243
N           -6.18582690964528       -4.82002676113396        3.23741481322177
Mo          -4.17754165245719       -3.97657812364105        3.45076119404467
N           -3.31912101337167       -5.12382052757742        4.89342444968263
C           -3.20491362398438       -6.53220150847332        4.57530948538568
C           -3.98433097486330       -6.86976919675356        3.30998223252255
H           -3.60211861528010       -7.17056125606925        5.38481369619791
H           -2.15150024898929       -6.83208244515095        4.43128362805506
H           -5.03992580422919       -6.97425116044411        3.55693033407927
H           -3.62456537044734       -7.81228183984524        2.86781870211098
H           -6.84326797670064       -4.97110266716885        1.23441856663491
H           -6.82257330907451       -6.49387453264753        2.13073489366319
H           -4.69572076730377       -5.14119824186063        0.57205437290077
H           -4.92533800306923       -6.87255277430884        0.90126940140542
H           -1.21342055025266       -4.31602414136625        0.89975676974582
H           -2.88934530101400       -4.14709585235887        0.36722738017923
H           -1.80981944672906       -5.95335114247085        2.56063791252818
H           -2.42964701394813       -6.48163351274518        0.97288971169265
C           -1.94367282345613       -2.04907512765896        1.89553046914145
C           -0.39377292861560       -2.10586268686053        1.76577651244661
C            0.34064940943241       -2.86540258986906        2.86584090200411
C            1.81907701478178       -3.00710606931365        2.50034489019950
C            2.60264055289577       -3.90507512084564        3.44249961591913
Cl           2.03640529506737       -5.59431492207595        3.33048174159540
C           -2.35364082252268       -1.01537696435997        2.95401760704220
C           -1.98517749983477        0.43041232059710        2.63031860809502
C           -2.59639062450702        0.84416172605188        1.29816432298631
C           -2.13293917582910       -0.10563952211157        0.20220599043231
C           -2.50060932263317       -1.55088544092793        0.53158666179556
C           -7.47055508710549       -4.79585108602818        3.92196048368592
C           -7.71026599329311       -6.14211891933730        4.68768945390452
C           -6.70556004669494       -6.39850406390085        5.80387265095874
C           -6.59635004337621       -7.87361123731335        6.19639554659701
C           -7.89320320535433       -8.39645437056805        6.79229236077252
Cl          -7.70585960357226      -10.09407102370130        7.31422906010172
C           -7.52877900351238       -3.64644654728097        4.94250699570083
C           -7.68696756566749       -2.27582396976195        4.28590180728155
C           -8.94364764325416       -2.19700804974464        3.43070277259609
C           -8.84298797609302       -3.26477390766026        2.35121769642465
C           -8.72276941628916       -4.63286550324644        3.01135500728742
C           -2.78914533016279       -4.82017726475070        6.23571795878594
C           -3.96737859460168       -4.93509921145048        7.24218492665421
C           -3.74722462153477       -4.44153775783196        8.67017473918757
C           -5.00340727482687       -4.66008987033073        9.51401817876950
C           -4.83652241632483       -4.17020038466888       10.94288548948313
Cl          -3.58432028211959       -5.11015805083665       11.80475248146414
C           -1.64072619465448       -5.74533779882997        6.70672216294812
C           -0.34435780503170       -5.38281764330482        5.99114475721384
C            0.19771049335722       -4.06568185074661        6.54955766444687
C           -0.94864105047688       -3.18199664735696        7.04518434799194
C           -2.21899618571052       -3.38112031424777        6.21912692484570
H           -0.14339820618460       -2.56197050458388        0.80521178552926
H           -0.00855172385696       -1.08798502637543        1.73261479641416
H           -0.10652032468322       -3.85155236036712        2.98965844996541
H            0.24660095959408       -2.33184741829647        3.81304453013211
H            1.90417200448361       -3.40766260658098        1.48692284980264
H            2.29381152133471       -2.02155723642646        2.50762610263945
H            2.48418197406864       -3.60394331296993        4.48315672265438
H            3.66182687705574       -3.91925478782578        3.18388746767526
H           -3.44107976994471       -1.07341288544051        3.01266329962944
H           -1.91595160065955       -1.30095237379153        3.91261932086589
H           -0.90203636633859        0.55896537041226        2.59345334526856
H           -2.35847101700714        1.07858700000047        3.42826706337644
H           -2.31219107162040        1.87009360305306        1.05332843398984
H           -3.68519714546320        0.80253587931656        1.37112424696317
H           -1.05407361039872       -0.01012294301224        0.06588076230869
H           -2.60642155264521        0.16736951857664       -0.74392491583715
H           -2.13284643807711       -2.18859507070322       -0.27343651758224
H           -3.58744028450481       -1.63256777941225        0.55314016230650
H           -8.72331175551374       -6.13720421066575        5.09385850707215
H           -7.65807219571844       -6.95825352225414        3.96382470569796
H           -6.97956353296533       -5.82068836944194        6.68888953379188
H           -5.73279909797678       -6.04855938571598        5.45760794439964
H           -5.79889392399671       -7.99326959485544        6.93384587625676
H           -6.33330134265863       -8.47488768526763        5.32334295612418
H           -8.70365421116989       -8.38270994130909        6.06505681023904
H           -8.18134721617883       -7.82609509445700        7.67613540701065
H           -6.61330984067233       -3.67407657166381        5.53704141155833
H           -8.37698085734656       -3.81881442933858        5.61058521035989
H           -7.70408317490701       -1.49938156429969        5.05711571129758
H           -6.84186723852964       -2.11005062728932        3.61802173207262
H           -9.02154236500173       -1.20629217322954        2.97872806743598
H           -9.83458392025674       -2.36274959070483        4.04168639789186
H           -7.97023768395554       -3.05966355783705        1.72897629253839
H           -9.72951320396314       -3.24787375656942        1.71247794835467
H           -8.75894102775211       -5.42024050497805        2.25929198785480
H           -9.60040231602097       -4.76761003785310        3.65003415996085
H           -4.80964780008696       -4.38510126210801        6.81110974873610
H           -4.25290012509887       -5.98769787860421        7.29177144239600
H           -2.92566020451594       -4.98243998544365        9.13908594259330
H           -3.49983499472669       -3.37840858929023        8.67680260951269
H           -5.25618427173019       -5.72207786080256        9.52411211258731
H           -5.84545497611488       -4.11877786392942        9.07299299453859
H           -4.51593197133043       -3.12850234572893       10.97119376492476
H           -5.75706469700729       -4.28857194310601       11.51430222105129
H           -1.88580691119379       -6.79563101072155        6.56605045577688
H           -1.49206831116485       -5.60986620157811        7.77765219173455
H           -0.54517388880267       -5.27138376226414        4.92523254066200
H            0.39620704022393       -6.17581569854642        6.10916190177021
H            0.88690369026410       -4.26054930608596        7.37421015508042
H            0.75517310052143       -3.54269461777431        5.77310246587347
H           -0.65238163104441       -2.13049231295548        6.99273213003872
H           -1.15644338688995       -3.39967474744733        8.09353799082924
H           -2.96893478891079       -2.68993963137673        6.60378327588995
H           -2.01080569079204       -3.14277983978760        5.17142159266111
N           -4.60118861025001       -2.01867777483163        4.86055192614154
H           -5.20430785382522       -1.34776536006093        4.39258752042547
H           -3.74602875170010       -1.53583969783108        5.11691176832170
H           -5.07229598887522       -2.30085955398434        5.71521147219797
N           -5.01410005699429       -3.00373190095935        2.12829243330259
N           -5.58062545742270       -2.41671708297113        1.34382708736059
116
 energy: -148.616509077976 gnorm: 0.002828389053 xtb: 6.5.1 (b24c23e)
N           -2.49460790402963       -3.34245519149221        2.28870791150157
C           -2.25910844698149       -4.32178180741827        1.25118183069694
C           -2.52854097338344       -5.72306455626574        1.77094134494537
N           -3.85888319333719       -5.77054082830488        2.36205304557302
C           -4.90354519466886       -5.87443385061385        1.36000823066433
C           -6.26997868939705       -5.55855382489871        1.98992172295445
N           -6.18428262251758       -4.82616039361479        3.23778437501152
Mo          -4.17742560338809       -3.97896373922888        3.45387625877532
N           -3.31226087887333       -5.12083726804473        4.89698451731763
C           -3.18986144017071       -6.52722093801726        4.57648511510326
C           -3.96829807967669       -6.86905217351878        3.31128064550287
H           -3.58272488358339       -7.16970963675675        5.38522333597956
H           -2.13466067083196       -6.82109629774031        4.43106491118104
H           -5.02294963307769       -6.98118471781518        3.55970030916083
H           -3.60260307503005       -7.80935912568610        2.86896142818374
H           -6.84283160007236       -4.99118722226593        1.23567731926989
H           -6.81080788664803       -6.50929989206902        2.13979936677939
H           -4.69481337359224       -5.14717914883329        0.57343603338910
H           -4.91452781674983       -6.87913657946691        0.90558302298737
H           -1.22275271480400       -4.29742406360655        0.88694753767632
H           -2.90428877852799       -4.13589675521272        0.37008436671733
H           -1.80027387946219       -5.93801000504234        2.55596860190648
H           -2.42114143916056       -6.47155188550675        0.97038010497244
C           -1.94584348252912       -2.04034288741620        1.90344506697850
C           -0.39502294259509       -2.09626904675572        1.77440337855050
C            0.33712615962889       -2.87212433165661        2.86404359819187
C            1.81281812338927       -3.02704912366729        2.49115910345894
C            2.57814634248733       -3.98006147199453        3.39534150825673
Cl           1.96716083944343       -5.65022379369407        3.22264692907861
C           -2.35649719518990       -1.01227040535524        2.96686888367717
C           -1.99106250756285        0.43599849680406        2.65068124417736
C           -2.60071154996667        0.85417430922987        1.31934791500424
C           -2.13157167033657       -0.08968328071807        0.22040227359715
C           -2.50038246663868       -1.53680797078246        0.54101977644809
C           -7.47022965772240       -4.80194288606373        3.91993578419528
C           -7.70999675464637       -6.14699990073718        4.68698727506533
C           -6.70636834505178       -6.40247413087500        5.80389515864473
C           -6.59613010044134       -7.87807746218357        6.19461245423653
C           -7.89649713239576       -8.40786741586522        6.77605985954867
Cl          -7.70519904018947      -10.10633775266369        7.29551447323477
C           -7.52955728934224       -3.65160414756756        4.93920482917136
C           -7.69139933563419       -2.28098805831239        4.28339060392538
C           -8.94520180023738       -2.20599148338734        3.42413311088611
C           -8.83863327463053       -3.27308141723518        2.34506188746562
C           -8.72021620109388       -4.64093170705900        3.00613391716715
C           -2.78383893652916       -4.81559157959773        6.23956746587447
C           -3.96365090158451       -4.93157004790381        7.24447686571428
C           -3.74512213837520       -4.43464322046210        8.67156932499708
C           -5.00457960461687       -4.64174226834885        9.51331377592386
C           -4.84416436511597       -4.12651806133394       10.93424038349277
Cl          -3.59551054949764       -5.05024524656372       11.81842908359832
C           -1.63406974138139       -5.73810859501194        6.71203733456514
C           -0.33675650907197       -5.37331529574506        5.99846433778619
C            0.20196004662721       -4.05446097351177        6.55681285173893
C           -0.94716450738473       -3.17458891733544        7.05239413188720
C           -2.21577261810782       -3.37565147117178        6.22349632448821
H           -0.14538814448518       -2.54055045759133        0.80797583513878
H           -0.00929627711703       -1.07821017127151        1.75469370355157
H           -0.11976722091165       -3.85480949407290        2.98057419269691
H            0.25291615937908       -2.34683341660459        3.81697940549474
H            1.88808879968319       -3.38793744295546        1.46108238939820
H            2.30710940872414       -2.05127252940892        2.53726215536820
H            2.47366495069748       -3.71592699187095        4.44838074203868
H            3.63581336624461       -4.01203956901643        3.13021199799263
H           -3.44386429570479       -1.07268169226823        3.02589703224651
H           -1.91699193757250       -1.30222227145487        3.92331423236381
H           -0.90808007642440        0.56754378103337        2.61675556949215
H           -2.36770086093197        1.07912950731782        3.45125886319959
H           -2.31872679107985        1.88207227385320        1.07962841099590
H           -3.68964882940377        0.80908800504319        1.38972803128368
H           -1.05171835788866        0.00651774909537        0.09110281310405
H           -2.59958018882069        0.18790109690368       -0.72708163477412
H           -2.12999167422714       -2.17055173797419       -0.26609991240900
H           -3.58739234241968       -1.61916840247977        0.55920459238880
H           -8.72350319750344       -6.14204000702104        5.09231290736251
H           -7.65697815430896       -6.96424279974243        3.96436211563622
H           -6.98065127251072       -5.82481986465393        6.68866503064923
H           -5.73282185365450       -6.05274791050222        5.45903952305860
H           -5.80513865134049       -7.99727827987312        6.93863228803720
H           -6.32449854727710       -8.47540534674332        5.32157075409478
H           -8.69986851521059       -8.39723829001270        6.04103150076156
H           -8.19653201942802       -7.84196536883624        7.65872208808500
H           -6.61213556141004       -3.67752148791420        5.53087465328714
H           -8.37539724374918       -3.82538287381040        5.61005921229867
H           -7.71383908779826       -1.50570314853844        5.05567835968700
H           -6.84448962390828       -2.11109956025141        3.61873957200781
H           -9.02465762178087       -1.21534337499549        2.97251344673039
H           -9.83769518900861       -2.37501872894655        4.03181828229870
H           -7.96291416532043       -3.06836116512830        1.72684124422166
H           -9.72181621565334       -3.25668677643527        1.70181047610501
H           -8.75328521165470       -5.42842354874517        2.25406002977156
H           -9.59987722253483       -4.77659558470685        3.64177190463330
H           -4.80579267015417       -4.38271214700614        6.81154937571605
H           -4.24856433794832       -5.98433117356059        7.29461473037485
H           -2.92761169574980       -4.97807531552648        9.14481060592613
H           -3.49197856072389       -3.37278427949982        8.67469987720605
H           -5.25591952755180       -5.70390301594317        9.54012828778161
H           -5.84576498304603       -4.10912356924404        9.05974198707818
H           -4.52381218574053       -3.08421432985413       10.94471986862585
H           -5.76725289842583       -4.23418993888483       11.50373006980536
H           -1.87646072378157       -6.78899778430598        6.57126847415419
H           -1.48733722051620       -5.60204763900788        7.78312420141508
H           -0.53572020503640       -5.26312270940377        4.93221329618633
H            0.40457159846948       -6.16523554344819        6.11881794363081
H            0.89164635206189       -4.24715080503115        7.38156595800912
H            0.75831460282700       -3.52927503126793        5.78062568517669
H           -0.65378420105976       -2.12223309588265        7.00287892983595
H           -1.15623265247927       -3.39542573869457        8.09976108571457
H           -2.96702892170430       -2.68515961258894        6.60657230960508
H           -2.00550569027209       -3.13725797597449        5.17634170908330
N           -4.60647599037969       -2.02134097390665        4.86552849223614
H           -5.21095672377748       -1.35096631325160        4.39902584559359
H           -3.75057154170078       -1.53910763428337        5.11965204075711
H           -5.07539543936274       -2.30447971732107        5.72102056187699
N           -5.01381244885597       -3.00888247926035        2.12878010432337
N           -5.57515427437114       -2.42606456995283        1.33742801429670
116
 energy: -148.616548788672 gnorm: 0.002032284840 xtb: 6.5.1 (b24c23e)
N           -2.49453637816515       -3.34058989839866        2.28979683734848
C           -2.26123145370750       -4.31777753216380        1.25004215777715
C           -2.52733997962319       -5.72007409110936        1.76863804071170
N           -3.85672687762996       -5.77014777591423        2.36188560817917
C           -4.90220273186410       -5.87515177661288        1.36077618056232
C           -6.26864458089214       -5.56144713262217        1.99145455764161
N           -6.18361328322058       -4.82701814522648        3.23798222278635
Mo          -4.17773864443045       -3.97894142554539        3.45401078470521
N           -3.31053930425459       -5.11977414043694        4.89679916238558
C           -3.18460217011632       -6.52540543160671        4.57573680546227
C           -3.96290503795166       -6.86907326821310        3.31077966646120
H           -3.57541294548837       -7.16963493448535        5.38421576248650
H           -2.12867076846204       -6.81667916679285        4.42952890040808
H           -5.01714671035947       -6.98422985529780        3.55979042185932
H           -3.59489185297375       -7.80841608242796        2.86829865779685
H           -6.84339623037801       -4.99677710057350        1.23662187601025
H           -6.80716555712792       -6.51325085742626        2.14328244072764
H           -4.69515087847555       -5.14729460258328        0.57432708754112
H           -4.91219225193422       -6.87961230963346        0.90582603436806
H           -1.22619109212513       -4.29136218653740        0.88235158941069
H           -2.90957083155306       -4.13134254090404        0.37138023067565
H           -1.79745091471673       -5.93478914780781        2.55220363938120
H           -2.42022021085116       -6.46753491083772        0.96711932845901
C           -1.94519011068503       -2.03829593453108        1.90684028398016
C           -0.39402254347219       -2.09452618464974        1.77938003441473
C            0.33663736614859       -2.87765600049628        2.86473744024234
C            1.81087417426298       -3.03872838855661        2.48813367494841
C            2.57155198376861       -4.00194348219931        3.38175207912950
Cl           1.94749910314362       -5.66425710711123        3.20128209359240
C           -2.35676168635080       -1.01182124260678        2.97137908573445
C           -1.99481963843139        0.43772048746658        2.65693349786637
C           -2.60419806987766        0.85550915194202        1.32543355010354
C           -2.12954762317315       -0.08558674065752        0.22652250622093
C           -2.49775142281579       -1.53337324885588        0.54419806719010
C           -7.46992148231362       -4.80263565058237        3.91983670941908
C           -7.70922798218192       -6.14720379471237        4.68729366883431
C           -6.70463122046524       -6.40342186345985        5.80309643023965
C           -6.59497480500944       -7.87940590356045        6.19203695807009
C           -7.89565791767015       -8.40975203262061        6.77124563204992
Cl          -7.70334034910791      -10.10783236323867        7.29294763537750
C           -7.52947013954212       -3.65173262530738        4.93849965133513
C           -7.69418582746129       -2.28147040013737        4.28280459343865
C           -8.94908929304810       -2.20977573671398        3.42493171779897
C           -8.83817800089430       -3.27505872117702        2.34457046800544
C           -8.71949466878791       -4.64286890170124        3.00532283607390
C           -2.78247010829990       -4.81367144699731        6.23947615110710
C           -3.96271323973652       -4.92937725412995        7.24392825019354
C           -3.74501848528399       -4.43166077234506        8.67093730446493
C           -5.00503022500201       -4.63684489528378        9.51226956324644
C           -4.84618389687307       -4.11576953944998       10.93100354716434
Cl          -3.59863649547074       -5.03549074594736       11.82008243518523
C           -1.63239850212483       -5.73513141692987        6.71324652843358
C           -0.33428504974481       -5.36945162918837        6.00143799227692
C            0.20294656433988       -4.05025914178752        6.56042493346919
C           -0.94769941638479       -3.17068988951174        7.05305708381452
C           -2.21519215277212       -3.37346674082806        6.22276267836644
H           -0.14383332262694       -2.53322857701251        0.81053254222877
H           -0.00787892041799       -1.07644365735397        1.76620975379405
H           -0.12467958134384       -3.85852616797277        2.97884395467689
H            0.25682582311692       -2.35537126913784        3.81962323740101
H            1.88332815621255       -3.39158067126273        1.45654508909913
H            2.31111582521536       -2.06768881520362        2.54063163648728
H            2.47216289163325       -3.74448689054332        4.43569610044648
H            3.62771524460004       -4.04060348907561        3.11196745525171
H           -3.44389782630193       -1.07458941838550        3.03109390745578
H           -1.91573526621833       -1.30196916154094        3.92704489057125
H           -0.91212676727861        0.57219403546203        2.62419386457909
H           -2.37401652482721        1.07897303843941        3.45785848766608
H           -2.32605858865468        1.88486466589916        1.08751738667554
H           -3.69314346260050        0.80566344034084        1.39398302513769
H           -1.04921612229191        0.01208187279915        0.10186093461129
H           -2.59404815408015        0.19272854025119       -0.72244650169294
H           -2.12509957998009       -2.16581127700092       -0.26307373656133
H           -3.58483259110678       -1.61694440732134        0.55986699927263
H           -8.72242053708765       -6.14233548658069        5.09344842699061
H           -7.65682643330391       -6.96447984503819        3.96462255725716
H           -6.97771969207800       -5.82627906451182        6.68845364386240
H           -5.73130216889698       -6.05393966632476        5.45769372657904
H           -5.80480651752771       -7.99982310818956        6.93655174940762
H           -6.32287633552127       -8.47549259681917        5.31839691044897
H           -8.69760602382663       -8.40141798874947        6.03482074086494
H           -8.19797813021346       -7.84373683425537        7.65265717855316
H           -6.61123592621775       -3.67663854578388        5.52881299438982
H           -8.37399527397841       -3.82642508602552        5.61061566416534
H           -7.71719053257487       -1.50613147368319        5.05483170994261
H           -6.84844752052868       -2.10992664634218        3.61720252743516
H           -9.03418759793497       -1.21860211555101        2.97539796847785
H           -9.84006922034745       -2.38458145273540        4.03336844145579
H           -7.96070974535286       -3.06854941382049        1.72961592778332
H           -9.71913643508380       -3.25930231487053        1.69842521188020
H           -8.75153284349537       -5.43049388890651        2.25348330556842
H           -9.59938130622169       -4.77915954662662        3.64039443566820
H           -4.80440865206830       -4.38044367358452        6.81019741454168
H           -4.24793783184074       -5.98206848340806        7.29415822669760
H           -2.92813329595234       -4.97513624316093        9.14520368850218
H           -3.49122331728058       -3.36997256122406        8.67330307095590
H           -5.25535830740448       -5.69896373188573        9.54318740962929
H           -5.84639155221430       -4.10699959554504        9.05605572908906
H           -4.52576018742124       -3.07360173098789       10.93735726310098
H           -5.76994987691924       -4.22079619664114       11.49978512329794
H           -1.87361340563480       -6.78624822467746        6.57212346496820
H           -1.48700413298040       -5.59902748078015        7.78453217152599
H           -0.53174204649986       -5.25952963077695        4.93490318327998
H            0.40732113007130       -6.16095468145948        6.12304587038618
H            0.89050988729150       -4.24251988803119        7.38705095278820
H            0.76152523062357       -3.52540313361528        5.78552769936147
H           -0.65511864242422       -2.11816002012852        7.00293672162788
H           -1.15807760433402       -3.39063661161849        8.10033781402988
H           -2.96735612015001       -2.68313838099096        6.60429208510331
H           -2.00407070071609       -3.13587664921096        5.17566541415719
N           -4.60935345624994       -2.02151952339879        4.86715158325367
H           -5.21401895882072       -1.35256531739276        4.39882608695656
H           -3.75426558865166       -1.53810842379259        5.12153912178021
H           -5.07912289317840       -2.30346449468127        5.72248716137651
N           -5.01338245856797       -3.00988026791663        2.12779913698648
N           -5.57246625375152       -2.42807602268398        1.33425189382119
116
 energy: -148.616611497558 gnorm: 0.001715726432 xtb: 6.5.1 (b24c23e)
N           -2.49516901751832       -3.33586977510677        2.29307859406243
C           -2.26290803584285       -4.30990308674257        1.25013807228345
C           -2.52371390800324       -5.71414750982341        1.76634704687695
N           -3.85186676590105       -5.76861400332809        2.36231657467282
C           -4.89817367570218       -5.87543418929394        1.36215331065260
C           -6.26469086279687       -5.56479393934914        1.99384233578217
N           -6.18036413572690       -4.82899509277627        3.23937403215538
Mo          -4.17715790159544       -3.97818669198595        3.45538302712012
N           -3.30643972967742       -5.11822705840035        4.89672944424646
C           -3.17555992478089       -6.52299010671829        4.57487071562554
C           -3.95357956425528       -6.86872311821134        3.31022560912902
H           -3.56374111682284       -7.16934959151353        5.38300691839698
H           -2.11867493839104       -6.81055617294277        4.42769622588264
H           -5.00727016035127       -6.98784265287906        3.55989365026155
H           -3.58247707555422       -7.80649326245934        2.86709702331433
H           -6.84143005130327       -5.00255684157822        1.23895274672924
H           -6.80047991409325       -6.51789872776985        2.14699378106174
H           -4.69336052542448       -5.14661072441437        0.57603375139007
H           -4.90656324770896       -6.87946873308959        0.90643689422289
H           -1.22957100363399       -4.27983661635716        0.87880625594643
H           -2.91502401546650       -4.12294790800099        0.37469575434180
H           -1.79158525215396       -5.92907388641254        2.54773433265794
H           -2.41655244589826       -6.45932989166135        0.96278348785534
C           -1.94587297256027       -2.03267926226274        1.91349893419776
C           -0.39457893260593       -2.08919099822262        1.78688514280309
C            0.33239441222550       -2.88667447432538        2.86453788309719
C            1.80452807192736       -3.05898432968885        2.48443354062100
C            2.55126234361004       -4.04993666380834        3.35941409942395
Cl           1.90182249804285       -5.69946013583483        3.14882019887090
C           -2.35748157765881       -1.00855971417621        2.98032881919643
C           -1.99875094763702        0.44232351016759        2.66808804018758
C           -2.60861379222454        0.86112878180936        1.33713410216314
C           -2.13055069929539       -0.07696431668337        0.23724565664119
C           -2.49876298550710       -1.52502489581764        0.55199845379830
C           -7.46759421211585       -4.80493703883570        3.92026160404416
C           -7.70587930270803       -6.14896351932311        4.68801906801619
C           -6.70056444472159       -6.40657429857412        5.80307307403422
C           -6.59209623774718       -7.88334427577455        6.18878450595964
C           -7.89480586470612       -8.41470631798215        6.76188222765800
Cl          -7.70323852987936      -10.11273576995133        7.28593068192741
C           -7.52990071454489       -3.65258537795082        4.93731420980057
C           -7.69564302937177       -2.28381424505054        4.27887365483859
C           -8.95206665355113       -2.21679885153373        3.42252174022113
C           -8.83482066306039       -3.28116146494947        2.34171701084862
C           -8.71648672258345       -4.64788630391866        3.00429753031333
C           -2.77857408099848       -4.81086701275756        6.23939380552430
C           -3.95897538773000       -4.92695295521745        7.24355725773767
C           -3.74340786912733       -4.42544718946833        8.66968423716034
C           -5.00542161089798       -4.62547386594702        9.50945068878864
C           -4.85110599901371       -4.09238437100771       10.92423413505898
Cl          -3.60481676603201       -5.00244106586899       11.82435525410697
C           -1.62740270297359       -5.73025031614898        6.71484015238861
C           -0.32836977952975       -5.36258881356903        6.00566813754320
C            0.20583486566460       -4.04236556135959        6.56505876845680
C           -0.94743705920689       -3.16366480252576        7.05325256108150
C           -2.21324045906580       -3.36996795866211        6.22139437915814
H           -0.14413414257254       -2.51738736894653        0.81334428429271
H           -0.00649592446091       -1.07162647029988        1.78585594653135
H           -0.13767695805106       -3.86419186289381        2.97206443144206
H            0.25887643799641       -2.37126640476207        3.82350102897974
H            1.87252271770453       -3.39239564331532        1.44638384601678
H            2.31798628162275       -2.09583045199902        2.55586603092821
H            2.45683048206075       -3.81171821805688        4.41829049997008
H            3.60614712095266       -4.09882533991779        3.08720941175986
H           -3.44431633619968       -1.07349611558579        3.04160372081137
H           -1.91425156320883       -1.29921610768723        3.93480329721956
H           -0.91634933216235        0.57922600415062        2.63566751779435
H           -2.37944492246353        1.08149961785052        3.46997665530667
H           -2.33368803137634        1.89184925312415        1.10160332432127
H           -3.69758418376400        0.80749247046718        1.40468428826009
H           -1.04997986096370        0.02141383335523        0.11543765717356
H           -2.59305124395102        0.20293906641421       -0.71221860997022
H           -2.12663984899873       -2.15638693200869       -0.25652060489450
H           -3.58596611956208       -1.60860351550747        0.56755470837284
H           -8.71884332014341       -6.14488022992190        5.09468259964664
H           -7.65338063717052       -6.96586331230982        3.96490081344302
H           -6.97336117868373       -5.83096209062097        6.68953808553987
H           -5.72740857030808       -6.05681174657904        5.45786402713569
H           -5.80438851376856       -8.00571531008744        6.93574354893284
H           -6.31680986580044       -8.47733522699710        5.31460109610583
H           -8.69327205571135       -8.40857871085506        6.02168201128318
H           -8.20194161777998       -7.84888116732898        7.64140531781074
H           -6.61329998769109       -3.67600013045955        5.53000675733939
H           -8.37569582656400       -3.82726944051636        5.60760536497275
H           -7.71811185925247       -1.50631234764570        5.04846264218157
H           -6.85124515733960       -2.11346628090092        3.61138206231469
H           -9.04477735755255       -1.22535667093323        2.97461212774114
H           -9.84105977860750       -2.39862567277597        4.03231180371280
H           -7.95433591366568       -3.07269060848865        1.73193689888156
H           -9.71210473667827       -3.26700186664107        1.69074876506832
H           -8.74783016533822       -5.43738313438500        2.25456005907414
H           -9.59656708795243       -4.78297426936791        3.63924596393249
H           -4.80115046489153       -4.38025662068788        6.80781803993484
H           -4.24266109905529       -5.98003360237590        7.29572464420693
H           -2.92819215370006       -4.96866957524225        9.14717497483215
H           -3.48805322357008       -3.36413799638177        8.66922453346002
H           -5.25458554528056       -5.68748663116972        9.54856360988451
H           -5.84610611487843       -4.10030932799096        9.04668467108664
H           -4.53240664430877       -3.04971505161264       10.92274491545843
H           -5.77640481614264       -4.19380058544370       11.49111491719954
H           -1.86629621434450       -6.78178739013145        6.57276755772828
H           -1.48434786159750       -5.59427590439455        7.78653234874095
H           -0.52366902415983       -5.25381682448909        4.93863452172312
H            0.41422426983006       -6.15295676187898        6.12940377392398
H            0.89075738369974       -4.23314161846436        7.39429918902755
H            0.76690407347373       -3.51757333638488        5.79174481895824
H           -0.65644487454797       -2.11074458692971        7.00158392796609
H           -1.15920574882477       -3.38190119392350        8.10063081074260
H           -2.96710422040033       -2.68032149666764        6.60071261829667
H           -2.00159007499635       -3.13366373090031        5.17420240897542
N           -4.61409411705351       -2.02324509010266        4.87102679313199
H           -5.22044665256745       -1.35647767309179        4.40149638315512
H           -3.76124281513983       -1.53664544690322        5.12692625505923
H           -5.08447984725330       -2.30590324447057        5.72577007849290
N           -5.01265408810881       -3.01187204599363        2.12737713410143
N           -5.57049188439877       -2.43424712596470        1.33001806412525
116
 energy: -148.616706212993 gnorm: 0.002488626456 xtb: 6.5.1 (b24c23e)
N           -2.49665682897381       -3.32672581159354        2.29943501258152
C           -2.26300278620946       -4.29532698205990        1.25102625451523
C           -2.51638682059086       -5.70336929783006        1.76148555221459
N           -3.84271510575047       -5.76465730162511        2.36140344147982
C           -4.89063809095849       -5.87352858283642        1.36289557944605
C           -6.25689530925566       -5.56755258538363        1.99721525129029
N           -6.17306761710410       -4.83136636337391        3.24240743692892
Mo          -4.17421147485474       -3.97783473709886        3.45842247417484
N           -3.29822130534814       -5.11565418787988        4.89670199847783
C           -3.16019851422203       -6.51919862914168        4.57244483442136
C           -3.93787374762380       -6.86666595155448        3.30808960801922
H           -3.54424939582649       -7.16831682558338        5.38019726845123
H           -2.10195130132896       -6.80048974745463        4.42373845805442
H           -4.99074056303077       -6.99121539855478        3.55860612001171
H           -3.56278064238739       -7.80177229306210        2.86319410367259
H           -6.83639627902734       -5.00734122520529        1.24351447790051
H           -6.78890039205185       -6.52256999734660        2.15110276760583
H           -4.68932852385122       -5.14256387837424        0.57784302142665
H           -4.89676750507198       -6.87661289599997        0.90554024001987
H           -1.23170672612311       -4.25870499672445        0.87640356278201
H           -2.91961911748558       -4.10712133974247        0.38011809754896
H           -1.78077850261331       -5.92107068267470        2.53881112444619
H           -2.41000534343690       -6.44343071621739        0.95324517342118
C           -1.94715684228080       -2.02164585102289        1.92610430259075
C           -0.39603378929740       -2.07924929899592        1.80167692625986
C            0.32187335571403       -2.90542313344141        2.86502981112504
C            1.78998972643015       -3.10154782098255        2.48079720856870
C            2.50891823105358       -4.13971592025140        3.32679528564833
Cl           1.81598827457974       -5.76575355068464        3.06423711970345
C           -2.35916812473402       -1.00130884437450        2.99669448902358
C           -2.00585062807240        0.45153826197706        2.68679535571704
C           -2.61730821844868        0.87173233374018        1.35691049419471
C           -2.13420096369794       -0.06145591672531        0.25541843369476
C           -2.50146308357451       -1.50976859121759        0.56654130184633
C           -7.46183085078565       -4.80881191388775        3.92173284013458
C           -7.69789967212980       -6.15227659442698        4.69002425410684
C           -6.68987551800552       -6.41317558615264        5.80256145881140
C           -6.58395492751101       -7.89140902096517        6.18227222580801
C           -7.89006013099602       -8.42259528575459        6.74734251595355
Cl          -7.70237737235948      -10.11951474443972        7.27810181602184
C           -7.53114598796516       -3.65404392632799        4.93603459588711
C           -7.69732966390526       -2.28843432084910        4.27123682057964
C           -8.95720988745958       -2.22957914939858        3.41846801339233
C           -8.82989522347180       -3.29312255060849        2.33744470048505
C           -8.71027339291117       -4.65747236581792        3.00384119433734
C           -2.77019972392419       -4.80551444682739        6.23868473502013
C           -3.95110939981087       -4.92269179967439        7.24182315126383
C           -3.74019429143787       -4.41205843332730        8.66555787298780
C           -5.00586542991883       -4.60516138714301        9.50179706212897
C           -4.86016830702363       -4.05371933291211       10.91060516772671
Cl          -3.61460648517177       -4.94667750773061       11.82816653780695
C           -1.61683442285513       -5.72118383825402        6.71654277155666
C           -0.31621628895144       -5.34956088218498        6.01254163781402
C            0.21197859019195       -4.02774152741929        6.57346922104750
C           -0.94619145790845       -3.14905918764067        7.05079814843899
C           -2.20863686043505       -3.36330459989688        6.21659981022658
H           -0.14420067652468       -2.48679283722911        0.81942532932124
H           -0.00286776450309       -1.06347280877596        1.82496733668445
H           -0.16620037190169       -3.87573303859154        2.95879709080131
H            0.25908174140361       -2.40378610035916        3.83177460680511
H            1.85123409110873       -3.40390686911644        1.43263058977672
H            2.32846402345756       -2.15383909684343        2.58333606819816
H            2.41870946378968       -3.93345653609465        4.39292572569392
H            3.56244566323790       -4.20758128349546        3.05421825881876
H           -3.44549169978233       -1.07028157508640        3.06058027762859
H           -1.91246391545878       -1.29180370030713        3.94960963196747
H           -0.92399571738277        0.59221624874573        2.65349685641653
H           -2.38796988160454        1.08789030217197        3.49020859583940
H           -2.34815740756801        1.90464613611393        1.12504613182942
H           -3.70614107793520        0.81165144374905        1.42346572293413
H           -1.05359902043023        0.03858903930425        0.13680943206893
H           -2.59498160638541        0.22031690779336       -0.69434215964494
H           -2.13206801723478       -2.13993479208786       -0.24423031878274
H           -3.58868201135527       -1.59286893786250        0.58402863318428
H           -8.70975327611060       -6.14857198993589        5.09917796989876
H           -7.64712481919958       -6.96818730427084        3.96569284557127
H           -6.96180112501883       -5.84096619503582        6.69166607554110
H           -5.71754071887096       -6.06236659847429        5.45691567082674
H           -5.79964456914330       -8.01728061031584        6.93268819635002
H           -6.30396166469675       -8.48281218033953        5.30759675834439
H           -8.68295116895812       -8.41983205782277        6.00113109520737
H           -8.20401989255859       -7.85441171838569        7.62261773952751
H           -6.61952566767624       -3.67460110495827        5.53608483853512
H           -8.38147267848355       -3.82840506004225        5.60031320503113
H           -7.71761584375020       -1.50594304960453        5.03550749365485
H           -6.85567075842036       -2.12192210877984        3.59930501693305
H           -9.06319578134269       -1.23819148108519        2.97268752096103
H           -9.84206186048755       -2.42257607052264        4.03163292021170
H           -7.94555716698810       -3.08042164398045        1.73506605631892
H           -9.70188133091326       -3.28289895990234        1.67969450421601
H           -8.74087775544348       -5.45082170568089        2.25839569103333
H           -9.58996029091699       -4.79032820029297        3.63971357853602
H           -4.79515827721166       -4.38240388720749        6.80151208271213
H           -4.22992840444257       -5.97694794929039        7.29914292653771
H           -2.92708900991415       -4.95276746604415        9.14954974672292
H           -3.48420298441453       -3.35095877102886        8.65910305509495
H           -5.25249841625956       -5.66711223790323        9.55323436338901
H           -5.84529121345238       -4.08774825063582        9.02815472834109
H           -4.54634760858752       -3.00961695232629       10.89778865725870
H           -5.78794428922427       -4.15203192274381       11.47398865499135
H           -1.85143922899460       -6.77343443306307        6.57234432128965
H           -1.47872103255246       -5.58547427219877        7.78904831544605
H           -0.50735609030316       -5.24267383990027        4.94456226010675
H            0.42831321634755       -6.13779224250114        6.14006309254431
H            0.88976097924385       -4.21628603377616        7.40922707540551
H            0.78005495034967       -3.50362717140095        5.80451188554419
H           -0.65777610038982       -2.09560295194999        6.99337024278659
H           -1.16096333955136       -3.36120469811217        8.09891280113703
H           -2.96577844315105       -2.67499702433851        6.59154373118896
H           -1.99675044390683       -3.13019157096250        5.16882771901019
N           -4.62397369297766       -2.02531381488562        4.87497186117575
H           -5.23516025937817       -1.36275314650990        4.40508055670838
H           -3.77654534008292       -1.53079200038999        5.13485028972353
H           -5.09449404646941       -2.31184426557837        5.72858327319599
N           -5.01162091364769       -3.01708865709439        2.12797871398693
N           -5.56855068653993       -2.44325246191107        1.32763903064019
116
 energy: -148.616753749892 gnorm: 0.002288646500 xtb: 6.5.1 (b24c23e)
N           -2.49679943597869       -3.32396104819770        2.30093172318482
C           -2.26218217896115       -4.29084748362270        1.25069322599945
C           -2.51419138911176       -5.70001829173789        1.75901683591635
N           -3.83977978258648       -5.76242205050961        2.36054785920405
C           -4.88837931532526       -5.87153425706772        1.36264417069474
C           -6.25464942704361       -5.56716635641382        1.99777824126770
N           -6.17112566570826       -4.83134852898974        3.24337066257212
Mo          -4.17357971609577       -3.97609336118023        3.45816878059716
N           -3.29538405171910       -5.11383901259033        4.89469558878970
C           -3.15536506556564       -6.51752539952191        4.57043589829125
C           -3.93334136805002       -6.86540894852659        3.30655396486922
H           -3.53829641983878       -7.16696963746113        5.37831839020019
H           -2.09677791421087       -6.79687423511904        4.42131675444236
H           -4.98600071228701       -6.99082046867791        3.55744145790000
H           -3.55766311352030       -7.79982184404031        2.86082591512558
H           -6.83500615790579       -5.00702195304689        1.24477915936280
H           -6.78555748222873       -6.52281070386322        2.15151338873915
H           -4.68808503320903       -5.13979841004920        0.57802317477215
H           -4.89391371747323       -6.87423410623369        0.90454637680260
H           -1.23111129793515       -4.25234621152135        0.87601349670173
H           -2.91936559408439       -4.10192469321606        0.38060961865526
H           -1.77735091043071       -5.91968981448037        2.53465388913312
H           -2.40897219616033       -6.43815637233727        0.94889853820896
C           -1.94644364390533       -2.01842771556711        1.93000086051636
C           -0.39532344331841       -2.07712705806275        1.80795969063792
C            0.31779896290342       -2.91373123174651        2.86658395762382
C            1.78394406846369       -3.12025792957206        2.48089621820914
C            2.49314281958844       -4.16787287369464        3.32178828395406
Cl           1.78879887812230       -5.78582558043598        3.04946542142151
C           -2.35973014289774       -0.99902063721489        3.00110353335261
C           -2.00864153388645        0.45455774040538        2.69200569510337
C           -2.62072433129052        0.87463263302743        1.36235904709977
C           -2.13442378967068       -0.05665443579783        0.26079006225884
C           -2.50047588709709       -1.50542428974575        0.57064478203699
C           -7.46007200141249       -4.81009317196050        3.92238205307568
C           -7.69493346611276       -6.15362677128867        4.69108995541055
C           -6.68453702906778       -6.41564204072663        5.80138958411341
C           -6.57887013527133       -7.89412721707678        6.17983275586133
C           -7.88542350547922       -8.42413991838844        6.74514324232086
Cl          -7.69902971559968      -10.11955181863576        7.28017364461663
C           -7.53197456560873       -3.65498875794796        4.93618318566392
C           -7.69915977418141       -2.29009687222271        4.27021428085799
C           -8.96006283132373       -2.23351418317219        3.41867368111771
C           -8.83117298151372       -3.29692992824721        2.33764728081352
C           -8.70884431659872       -4.66080185937192        3.00442777407186
C           -2.76744735482225       -4.80290329879843        6.23653446348674
C           -3.94827265639662       -4.92039184107745        7.23963320317809
C           -3.73966700573403       -4.40622462938747        8.66242596597982
C           -5.00597813083811       -4.59961880773711        9.49761053880082
C           -4.86296284807599       -4.04548662505959       10.90548821698524
Cl          -3.61649866793004       -4.93413663380267       11.82576374750754
C           -1.61366753419651       -5.71736048282246        6.71594923069269
C           -0.31216629071193       -5.34449270946512        6.01438603512947
C            0.21413741338133       -4.02281089807499        6.57707441307997
C           -0.94584738532853       -3.14298880664912        7.04840237158425
C           -2.20689396854723       -3.36038606215694        6.21305969989646
H           -0.14198769610067       -2.47721362970545        0.82317971203927
H           -0.00003033154529       -1.06251125167161        1.84030840983653
H           -0.17764439751465       -3.88050257479765        2.95609049775547
H            0.25886564973085       -2.41643502594738        3.83559465960703
H            1.84338431110136       -3.41822069383856        1.43201015002512
H            2.33032641152221       -2.17862279848150        2.58780235343740
H            2.40222870329386       -3.96698055887645        4.38816199007104
H            3.54637589380810       -4.24254131776975        3.04999149527747
H           -3.44590161126600       -1.06976623123925        3.06489099326474
H           -1.91264624157283       -1.28903961653030        3.95397500457942
H           -0.92700169917484        0.59676863445603        2.65831213912129
H           -2.39145720328421        1.08996985593060        3.49582174098898
H           -2.35424316928715        1.90846624345644        1.13169990574160
H           -3.70941938779395        0.81148932606492        1.42824697772023
H           -1.05378270388578        0.04493953927967        0.14401759633265
H           -2.59426438958471        0.22511252576661       -0.68946851084585
H           -2.13091925316247       -2.13484561282357       -0.24050731023973
H           -3.58762500030555       -1.58905445588788        0.58831289451372
H           -8.70572415247132       -6.14890765681755        5.10277395467919
H           -7.64670683433893       -6.96936183023963        3.96641393164492
H           -6.95499450814591       -5.84434097541321        6.69156042756152
H           -5.71290278831497       -6.06444310998359        5.45432064223722
H           -5.79437389871177       -8.02070614431896        6.92999988724821
H           -6.29922947461765       -8.48549906434955        5.30506751103115
H           -8.67761919505296       -8.42270639080212        5.99822841339579
H           -8.19989165984305       -7.85331560757223        7.61857954145786
H           -6.62183541920377       -3.67429282024197        5.53835595837157
H           -8.38348162609168       -3.82997653878386        5.59870967554250
H           -7.71908035869500       -1.50655612743483        5.03343109482047
H           -6.85853994899603       -2.12391456851516        3.59689252843930
H           -9.06877459700921       -1.24246674581292        2.97309277360319
H           -9.84368601996327       -2.42843565528991        4.03286376492300
H           -7.94745154743221       -3.08234983787260        1.73518482447637
H           -9.70320016182763       -3.28856401293188        1.68008423727509
H           -8.73868001529515       -5.45461789089558        2.25950946331850
H           -9.58801543859223       -4.79460407446474        3.64081922602671
H           -4.79325787046127       -4.38310226160974        6.79756820791185
H           -4.22471417997120       -5.97516472756273        7.29915986017535
H           -2.92616346980665       -4.94445582459500        9.14845581979562
H           -3.48547944023746       -3.34475159711606        8.65392658143410
H           -5.25114687142743       -5.66174281159501        9.55069697241193
H           -5.84549503864703       -4.08436128754405        9.02199630442796
H           -4.55135540798697       -3.00078450689253       10.89127227066764
H           -5.79111362238455       -4.14496675707562       11.46809064788695
H           -1.84690877792070       -6.76981698019453        6.57101156036858
H           -1.47755107682419       -5.58165715372813        7.78877071257464
H           -0.50143710436206       -5.23750181673119        4.94610246072568
H            0.43272417307178       -6.13227311800522        6.14307355856314
H            0.88732854485651       -4.21165218902158        7.41649403536815
H            0.78707309202359       -3.49941997303308        5.81112755424445
H           -0.65774940325953       -2.08960464533451        6.98747903036770
H           -1.16242120575912       -3.35120309587982        8.09697937971395
H           -2.96524424111509       -2.67224392928734        6.58580023603620
H           -1.99456264318010       -3.12889256595605        5.16504975348427
N           -4.62666838660448       -2.02541649538201        4.87618942319222
H           -5.23935584957392       -1.36520074598361        4.40487134036788
H           -3.78162126475054       -1.52731224116497        5.13731580657565
H           -5.09770910450619       -2.31246558570046        5.72934458869332
N           -5.01167805209524       -3.01601196257105        2.12782101472391
N           -5.56962418940728       -2.44325185290070        1.32732784709529
116
 energy: -148.616840454896 gnorm: 0.002143212157 xtb: 6.5.1 (b24c23e)
N           -2.49728815037514       -3.31890002492344        2.30205903677377
C           -2.26100512676095       -4.28323582559133        1.24922514050175
C           -2.51038420138143       -5.69397137753523        1.75490612182921
N           -3.83480010043117       -5.75851354127338        2.35881163670632
C           -4.88439541392987       -5.86902567838847        1.36199319211835
C           -6.25088029314190       -5.56771422918132        1.99817245750334
N           -6.16853304546638       -4.83203610558682        3.24438293129659
Mo          -4.17204587629380       -3.97321983699220        3.45734349305156
N           -3.28991137288356       -5.11005419484017        4.89143806729654
C           -3.14686453102842       -6.51403737997403        4.56711658144668
C           -3.92550532512579       -6.86272001615110        3.30414505529196
H           -3.52803817193091       -7.16384282726676        5.37533408247228
H           -2.08776061785665       -6.79041098171724        4.41735174863040
H           -4.97780892477048       -6.98938497823969        3.55591604466117
H           -3.54908124857260       -7.79618649865464        2.85712024846468
H           -6.83268995049177       -5.00797767116726        1.24595942644089
H           -6.77983472395912       -6.52445233008034        2.15189377569970
H           -4.68612197319915       -5.13652688163313        0.57752401028602
H           -4.88836235080287       -6.87149831533242        0.90336823776276
H           -1.23016493855080       -4.24157593563608        0.87426641797571
H           -2.91897494369898       -4.09365919818283        0.37994511646307
H           -1.77151428655847       -5.91567541070732        2.52811057349054
H           -2.40639239984515       -6.42982415436747        0.94258397794744
C           -1.94565758443587       -2.01251475515884        1.93555021066471
C           -0.39424158189908       -2.07260742721017        1.81831470460951
C            0.31012716410511       -2.92586478670309        2.86963149472437
C            1.77289696883940       -3.15110798463184        2.48231238551233
C            2.46375895074327       -4.21854469238897        3.31384144105738
Cl           1.73703203363444       -5.82231836567869        3.01848876700795
C           -2.36180117955340       -0.99513131826236        3.00758831801212
C           -2.01319629934154        0.45956145498284        2.70101930372338
C           -2.62564154238694        0.88055019549489        1.37186535517892
C           -2.13459796557194       -0.04746049168009        0.26973428125134
C           -2.49849142375615       -1.49748827098972        0.57652130956863
C           -7.45759671345889       -4.81332477425079        3.92267159761261
C           -7.69064580020024       -6.15702893174840        4.69245025308269
C           -6.67628761317584       -6.41970632016388        5.79902836601706
C           -6.56988283132725       -7.89820158048957        6.17715752167612
C           -7.87684207141441       -8.42734699047436        6.74320493049154
Cl          -7.69125291024939      -10.11997485331576        7.28430142230167
C           -7.53359805315261       -3.65835295319895        4.93625669098755
C           -7.70249566311435       -2.29400691612942        4.26965126235701
C           -8.96308426376624       -2.23905989461885        3.41764837939640
C           -8.83468800462492       -3.30375929513069        2.33790000699167
C           -8.70701916078367       -4.66723387294839        3.00481372844214
C           -2.76233785873619       -4.79795026142955        6.23302866930890
C           -3.94329060443135       -4.91630641300974        7.23583995881675
C           -3.73876194866025       -4.39570175105549        8.65679664450040
C           -5.00600246263411       -4.59021033957544        9.49019338092492
C           -4.86766862790904       -4.03154943521175       10.89665832499493
Cl          -3.61881097169172       -4.91249897212638       11.82138976787163
C           -1.60800686730904       -5.71053362621077        6.71486216935536
C           -0.30508800933180       -5.33561189581648        6.01710999709912
C            0.21837377897444       -4.01467485695917        6.58374832627019
C           -0.94437140476666       -3.13305314676227        7.04557462522150
C           -2.20311726990087       -3.35502159426328        6.20794396002993
H           -0.13802523529570       -2.46078748461037        0.82973548933978
H            0.00407454328915       -1.05996722587323        1.86538790223227
H           -0.19827298612464       -3.88617527481430        2.95268144542800
H            0.25791973635955       -2.43525161222683        3.84223175381470
H            1.82901630843669       -3.44083769621905        1.43093201438266
H            2.33453725051312       -2.22010162644321        2.59856776292388
H            2.37025572795396       -4.02874744759034        4.38190272736442
H            3.51721635843805       -4.30572061694740        3.04582498481823
H           -3.44789500368112       -1.06811891513470        3.06975512761206
H           -1.91537940008475       -1.28536856375370        3.96066985515105
H           -0.93179441342056        0.60351294915528        2.66711156114912
H           -2.39690820788652        1.09305540076291        3.50591236494898
H           -2.36219437685312        1.91562897395623        1.14344956257601
H           -3.71409809412913        0.81378615012137        1.43649219740681
H           -1.05384135396347        0.05670153068744        0.15613037479080
H           -2.59282681684673        0.23469870310395       -0.68124308391446
H           -2.12754073282622       -2.12482279960817       -0.23533261836741
H           -3.58548256407024       -1.58257066880242        0.59377929771455
H           -8.69962285198250       -6.15010179705447        5.10856645684054
H           -7.64703875014083       -6.97297287448956        3.96775596559840
H           -6.94408326055463       -5.84893729454443        6.69036389930897
H           -5.70572503810007       -6.06802936109691        5.44922134836166
H           -5.78519003211037       -8.02445272858540        6.92713579224365
H           -6.29052105487316       -8.49000402003266        5.30269181378430
H           -8.66815638398029       -8.42777316704547        5.99534834417702
H           -8.19219440679922       -7.85246868788466        7.61399176450499
H           -6.62513495583709       -3.67558688064674        5.54089389360258
H           -8.38638069389563       -3.83492066586019        5.59677925348532
H           -7.72390337859282       -1.51016036027111        5.03262346240794
H           -6.86196675940402       -2.12685844086475        3.59645341878200
H           -9.07057312926020       -1.24909701243812        2.97024086341016
H           -9.84685548828208       -2.43200610285698        4.03161138643870
H           -7.95395958514448       -3.08742793156039        1.73172577606629
H           -9.70923434116824       -3.29839993964391        1.68367729255208
H           -8.73471565913285       -5.46077166247435        2.25949360716865
H           -9.58559759290060       -4.80411872459340        3.64146186619178
H           -4.79015257391736       -4.38470461692324        6.79070522751344
H           -4.21504914888963       -5.97208096305347        7.29921195830627
H           -2.92420246378343       -4.92907975163267        9.14637748940028
H           -3.48825414443499       -3.33342176952492        8.64454670866829
H           -5.24826220670952       -5.65291018892772        9.54581146684142
H           -5.84602237753151       -4.07885678293556        9.01133583720419
H           -4.56031742724219       -2.98557991584337       10.88002171762279
H           -5.79620499641734       -4.13354739651818       11.45828208099606
H           -1.83912557872984       -6.76331541647513        6.56896697965766
H           -1.47496123381194       -5.57464298865058        7.78810803225446
H           -0.49165195912941       -5.22749306789134        4.94854048462361
H            0.44012020490253       -6.12296870924055        6.14698370102656
H            0.88383654228184       -4.20487701239281        7.42900856917064
H            0.79945648834047       -3.49181896106880        5.82337449112908
H           -0.65665896099650       -2.07987409092345        6.97936402755281
H           -1.16416553773591       -3.33519870405076        8.09469231115051
H           -2.96310736232292       -2.66695744943599        6.57728347715312
H           -1.98948820646757       -3.12576333394024        5.15977335146249
N           -4.63078548634860       -2.02592947719788        4.87795546996484
H           -5.24617481220425       -1.36915110815623        4.40547437072205
H           -3.78873603975789       -1.52292018250095        5.13944175930797
H           -5.10117016368393       -2.31445559095055        5.73095239755212
N           -5.01227097005493       -3.01337051027125        2.12805104204131
N           -5.57227509437183       -2.44082834489282        1.32876070518259
116
 energy: -148.616942506541 gnorm: 0.001777412847 xtb: 6.5.1 (b24c23e)
N           -2.49879569278722       -3.31307187057035        2.30135628683179
C           -2.26054159773203       -4.27427945042290        1.24578359478720
C           -2.50684383105894       -5.68656818912610        1.74867065482531
N           -3.82988525118430       -5.75371379291786        2.35518257160810
C           -4.88090223722029       -5.86622756844615        1.36016153317530
C           -6.24746919265791       -5.56861791373058        1.99785741256651
N           -6.16685459647229       -4.83268169605679        3.24448610980022
Mo          -4.17004805479537       -3.97087846269150        3.45619891715990
N           -3.28297143441733       -5.10513520306977        4.88781447418456
C           -3.13683317821036       -6.50888871272249        4.56253045550179
C           -3.91662283575737       -6.85841474305867        3.30055977814844
H           -3.51549899580615       -7.15951698116066        5.37114521165870
H           -2.07715516716798       -6.78204642562837        4.41156491816889
H           -4.96835095851199       -6.98708862755063        3.55382956182956
H           -3.53931135142667       -7.79087944392120        2.85219781675797
H           -6.83122386196406       -5.00995490913489        1.24620168334597
H           -6.77392229851234       -6.52662843903628        2.15202760584194
H           -4.68533625881797       -5.13311712911803        0.57556158943955
H           -4.88296638010033       -6.86866539001864        0.90129643865395
H           -1.22989425286360       -4.22906152373294        0.87028296522201
H           -2.91927182555985       -4.08413196339167        0.37699993739648
H           -1.76573500183071       -5.90979627988563        2.51935281500571
H           -2.40397301549753       -6.42056416129656        0.93454714508568
C           -1.94487202555905       -2.00603990677935        1.94078913288577
C           -0.39250868082974       -2.06770841507278        1.83087833551476
C            0.30080351447036       -2.93926345299356        2.87456835169312
C            1.75910068219675       -3.18855920940773        2.48522268836809
C            2.42703168625178       -4.27714493346470        3.30816921181078
Cl           1.67550634391209       -5.86403335736011        2.98912883301570
C           -2.36498059356179       -0.99129826248674        3.01382835161116
C           -2.01841024092070        0.46462288888600        2.71087677750917
C           -2.63015086595681        0.88709353390263        1.38200092989769
C           -2.13254512340308       -0.03687081068636        0.27941028247254
C           -2.49371822987875       -1.48878572190740        0.58135147054779
C           -7.45559937033984       -4.81749025288747        3.92260626677207
C           -7.68566870311840       -6.16151942624610        4.69370394679828
C           -6.66626859214453       -6.42360153516608        5.79557451965249
C           -6.55808264346358       -7.90182234736327        6.17482892108872
C           -7.86413919484005       -8.43037199715595        6.74456785088029
Cl          -7.67705083309660      -10.11957541628759        7.29246170548331
C           -7.53549329416253       -3.66327516353703        4.93657623600523
C           -7.70741011662627       -2.29900375363052        4.27052860015558
C           -8.96693423093159       -2.24489059429417        3.41721416114679
C           -8.84112566503599       -3.31162823040715        2.33928593584819
C           -8.70620187645584       -4.67507702821821        3.00556865228883
C           -2.75615987533008       -4.79130400687845        6.22896383862935
C           -3.93813978053796       -4.91045417319610        7.23048215663983
C           -3.73847589032506       -4.38213427788543        8.64909961875465
C           -5.00607499942730       -4.58063281420451        9.48072240132212
C           -4.87252913727353       -4.01930283742557       10.88638233260559
Cl          -3.61978450029907       -4.89226467073487       11.81381836310003
C           -1.60164780418423       -5.70212644417082        6.71335614697394
C           -0.29702318785683       -5.32474255276697        6.02007487352850
C            0.22342283303992       -4.00553199855205        6.59312595917990
C           -0.94227422198828       -3.12129441946353        7.04325681485128
C           -2.19801482849385       -3.34806602756489        6.20208969036465
H           -0.13205901929986       -2.44263147287613        0.83838651474560
H            0.00860290971209       -1.05723543552758        1.89490874220558
H           -0.22385271405506       -3.89114906214406        2.95189452110944
H            0.25786583442743       -2.45495649136848        3.85082071033529
H            1.81055772680356       -3.47121563672989        1.43138338640584
H            2.33917759670764       -2.27026974185749        2.60981493867569
H            2.32919979028463       -4.09827053401219        4.37777511569025
H            3.48085615419090       -4.37925637361208        3.04613298630164
H           -3.45115468498663       -1.06631990985496        3.07312531002724
H           -1.92013218514618       -1.28245456622884        3.96732394652329
H           -0.93719466035570        0.61037714944411        2.67764706469316
H           -2.40354418218634        1.09559390257137        3.51704700050866
H           -2.36979377959006        1.92359473020988        1.15635582951534
H           -3.71840428389472        0.81642156404961        1.44426847280834
H           -1.05145391356089        0.07032515272074        0.17110362904447
H           -2.58758703634692        0.24600991734150       -0.67289301180679
H           -2.11873399237385       -2.11286454395258       -0.23092695078727
H           -3.58050903486107       -1.57653108420560        0.59560978972745
H           -8.69246435518452       -6.15278585758594        5.11521123022246
H           -7.64705628060802       -6.97788564332365        3.96921743752247
H           -6.93014325370161       -5.85222395429165        6.68773782094122
H           -5.69702377306254       -6.07182085716570        5.44153700448438
H           -5.77184338538875       -8.02690279566698        6.92315353504787
H           -6.28071462131147       -8.49445116034297        5.30037891321781
H           -8.65599035952870       -8.43347666939972        5.99726366710956
H           -8.17914289007377       -7.85107849239063        7.61296014801739
H           -6.62751162229015       -3.67812064917882        5.54204256378527
H           -8.38836015913321       -3.84236225646108        5.59656750987615
H           -7.73172062575704       -1.51598367530649        5.03448361310268
H           -6.86646596023006       -2.12923636966506        3.59843333641947
H           -9.07016098137696       -1.25609564300309        2.96660299319044
H           -9.85208362553735       -2.43312821535143        4.03020960719727
H           -7.96514915371220       -3.09403602587694        1.72627837875110
H           -9.72050059256802       -3.30963962467350        1.69112324909689
H           -8.73059448454792       -5.46724523154647        2.25851901550071
H           -9.58405292975778       -4.81724061738683        3.64223313271328
H           -4.78699041805397       -4.38548725556101        6.78146156783385
H           -4.20437903160631       -5.96736021461480        7.29823565059781
H           -2.92152011400721       -4.90844051699099        9.14237412270161
H           -3.49414280621907       -3.31844254411813        8.63249670928337
H           -5.24397989694254       -5.64433451805974        9.53731640166759
H           -5.84750761347916       -4.07369632479125        8.99966197244043
H           -4.57077170371423       -2.97173111372811       10.86866444558215
H           -5.80105444434748       -4.12581552343372       11.44721113766079
H           -1.83046476068167       -6.75523197262057        6.56639657361299
H           -1.47225122168228       -5.56593070239296        7.78703640643129
H           -0.48078895715024       -5.21370957041809        4.95144083124206
H            0.44817687258673       -6.11208088364723        6.15015230240037
H            0.87867032616925       -4.19875489424200        7.44573916035688
H            0.81532840098746       -3.48303482285910        5.84053285415621
H           -0.65481372688907       -2.06846716530628        6.97106122193597
H           -1.16679004718191       -3.31632891405584        8.09271760269821
H           -2.95955911341162       -2.65978668229386        6.56746464003889
H           -1.98202155032400       -3.12113112523201        5.15399130920742
N           -4.63529988407774       -2.02501198549037        4.87762388746000
H           -5.25398823997335       -1.37136222923178        4.40542935763496
H           -3.79566130020399       -1.51782877233990        5.13849239023732
H           -5.10368887988887       -2.31654458496017        5.73073906004315
N           -5.01382986601978       -3.01002226045165        2.12921085681743
N           -5.57606866873637       -2.43429147655235        1.33380906161778
116
 energy: -148.617052155378 gnorm: 0.002468477322 xtb: 6.5.1 (b24c23e)
N           -2.50149401410087       -3.30464207966885        2.29871422505954
C           -2.26248673358950       -4.26091383081616        1.23902808417000
C           -2.50284234458636       -5.67521473184901        1.73897687878332
N           -3.82359347261461       -5.74697973483636        2.35002634907056
C           -4.87672499616560       -5.86327196090746        1.35783716574883
C           -6.24365957021711       -5.57144552467200        1.99727714270447
N           -6.16583740405920       -4.83422476856446        3.24356519644767
Mo          -4.16893730939196       -3.96601493821832        3.45304238792789
N           -3.27318799564390       -5.09702297053957        4.88133563369446
C           -3.12135654090432       -6.49993454035614        4.55530186057475
C           -3.90310582069767       -6.85232394479772        3.29517332171858
H           -3.49565429757187       -7.15270322499183        5.36435177438897
H           -2.06062742807011       -6.76834256968249        4.40205424381034
H           -4.95371249695014       -6.98544494783853        3.55122240276649
H           -3.52328343053570       -7.78322156019773        2.84546101739147
H           -6.83082661331405       -5.01589423479582        1.24566797201239
H           -6.76566350445464       -6.53166992006301        2.15286884534424
H           -4.68547486729129       -5.12960781297069        0.57267087930646
H           -4.87575901341846       -6.86581748519663        0.89888495848891
H           -1.23279286466714       -4.21056820897744        0.86070140748043
H           -2.92390556302335       -4.07023967442390        0.37181788676087
H           -1.75820024799090       -5.89871644753592        2.50624266987093
H           -2.40096140714398       -6.40739129896666        0.92307609449678
C           -1.94432517856967       -1.99704154267830        1.94688065598160
C           -0.39014737940310       -2.06094695261899        1.84833796190308
C            0.28755979405167       -2.95537347753758        2.88293986100869
C            1.73870255945450       -3.24101250807249        2.49021721268937
C            2.37222463905448       -4.36225615087724        3.29982765119646
Cl           1.58177921110320       -5.92418230008205        2.94267209831057
C           -2.37013377913443       -0.98623482153006        3.02126118443778
C           -2.02485216975656        0.47135395840821        2.72509637764062
C           -2.63355239360141        0.89684411660739        1.39607512800434
C           -2.12681763048007       -0.02145951301276        0.29282355111800
C           -2.48556528543630       -1.47596463504693        0.58650475975150
C           -7.45393701395216       -4.82425482796442        3.92213576179174
C           -7.67855679951351       -6.16891498925287        4.69461523911089
C           -6.65304226379994       -6.42815808240954        5.79096323235739
C           -6.54099705186392       -7.90557635955764        6.17309935395997
C           -7.84430733577196       -8.43478729479067        6.74954130661428
Cl          -7.65128146925276      -10.12008399760579        7.30467118471095
C           -7.53775222861217       -3.67095924785655        4.93653873888482
C           -7.71458830103642       -2.30649848664134        4.27212580265968
C           -8.97221723249181       -2.25352046314437        3.41641432336863
C           -8.85067231210393       -3.32325389125183        2.34113248271669
C           -8.70612941923706       -4.68661876969693        3.00647288664450
C           -2.74795833772224       -4.78118441295156        6.22249356134050
C           -3.93147612278209       -4.90084861549766        7.22216764158442
C           -3.73901672604408       -4.36234688326485        8.63774389798338
C           -5.00635978638826       -4.56787166160862        9.46778412771871
C           -4.87919239396427       -4.00311358717629       10.87268492715645
Cl          -3.62030296606486       -4.86476483730967       11.80315680289027
C           -1.59372839016104       -5.68985003443506        6.71120825245455
C           -0.28646975450666       -5.30871921605416        6.02466091346763
C            0.23020344562539       -3.99275625836131        6.60820368685561
C           -0.93960323561849       -3.10554874621156        7.04253342289739
C           -2.19057586002356       -3.33774059528214        6.19481868344736
H           -0.12311396546826       -2.41917976971145        0.85142843547980
H            0.01367863203353       -1.05325046275519        1.93414265808817
H           -0.26070257874039       -3.89446328595494        2.95553497010048
H            0.25936364809077       -2.47720874789520        3.86299940290473
H            1.78214956737408       -3.51237013350531        1.43197078937189
H            2.34615528246607       -2.34127417410126        2.62694748366060
H            2.26852627058717       -4.20016153674024        4.37242334009888
H            3.42633779900556       -4.48701665620625        3.04688010928722
H           -3.45651643549327       -1.06289311543684        3.07556662917813
H           -1.92835558293938       -1.28005959600512        3.97527022517105
H           -0.94373843282380        0.61893098354476        2.69475433575651
H           -2.41279735996382        1.09840648863694        3.53296498839902
H           -2.37607858371800        1.93508884699742        1.17484925393527
H           -3.72170959176781        0.82195314700928        1.45387266103864
H           -1.04506573037955        0.08882991766123        0.19314033068356
H           -2.57596245917593        0.26375209513891       -0.66153317736132
H           -2.10297898846710       -2.09502136402321       -0.22605410596578
H           -3.57225630441192       -1.56780536833328        0.59379575211003
H           -8.68296735802316       -6.16037609139916        5.12193061987881
H           -7.64369783363829       -6.98581419147664        3.97055811804782
H           -6.91193746435575       -5.85476738551371        6.68332055651185
H           -5.68561939734534       -6.07637817704805        5.43100819266106
H           -5.75154061339106       -8.02793916689906        6.91821557787014
H           -6.26711230745612       -8.49934210305207        5.29833385621013
H           -8.63848303860250       -8.44251865924464        6.00461448812970
H           -8.15802130897062       -7.85160251656570        7.61612273397723
H           -6.62874720020182       -3.68248297279511        5.54077205829334
H           -8.38906431310813       -3.85368214983063        5.59789587661673
H           -7.74358634727056       -1.52528850958005        5.03809497699873
H           -6.87287038468875       -2.13224073058245        3.60211427433265
H           -9.06890291953553       -1.26611182108715        2.96100396683191
H           -9.85996022553135       -2.43446131980323        4.02771148688283
H           -7.98118280407847       -3.10466281435589        1.71867653219609
H           -9.73676281731532       -3.32539055187445        1.70138585147765
H           -8.72593330244590       -5.47665108161409        2.25676881235676
H           -9.58295861700029       -4.83618731526602        3.64298556147298
H           -4.78242184792266       -4.38428966087666        6.76763176619210
H           -4.19097968860097       -5.95902594359363        7.29561129023487
H           -2.91793336406774       -4.87796413751533        9.13561020934893
H           -3.50453184454227       -3.29643781634487        8.61529313850941
H           -5.23707033620380       -5.63332034428006        9.52543154323141
H           -5.85055575864635       -4.06755662351527        8.98425905179057
H           -4.58571657640707       -2.95311454279596       10.85348203029899
H           -5.80742460479420       -4.11623894547102       11.43272871461631
H           -1.81924880645982       -6.74336711694201        6.56242243542595
H           -1.46954149542612       -5.55371756017966        7.78558654419983
H           -0.46667349911763       -5.19197891950256        4.95620286338924
H            0.45848595815743       -6.09646124277466        6.15366682588736
H            0.87090640295266       -4.19138853981975        7.47075178594209
H            0.83727376943241       -3.46998721575158        5.86739903488720
H           -0.65226414944750       -2.05323495011618        6.96411495455871
H           -1.17161702373979       -3.29241881703628        8.09179041267059
H           -2.95418783969601       -2.64885975207742        6.55434967303995
H           -1.96977679334086       -3.11339792008695        5.14737975077077
N           -4.64023296983213       -2.02402709674578        4.87846167590608
H           -5.26277196674433       -1.37421909317514        4.40645425548719
H           -3.80267326945946       -1.51271829943284        5.13728126755172
H           -5.10578427065407       -2.31867382986830        5.73189692905341
N           -5.01648248274696       -3.00277271516154        2.12937226572451
N           -5.58154926114997       -2.42333585180358        1.33836639788932
116
 energy: -148.617107695653 gnorm: 0.002017445435 xtb: 6.5.1 (b24c23e)
N           -2.50358397035978       -3.30071817126847        2.29570192436966
C           -2.26500403721053       -4.25443341164678        1.23402888498129
C           -2.50273262811355       -5.66967562714873        1.73217393052916
N           -3.82226336135521       -5.74363444553500        2.34563531004745
C           -4.87676306656430       -5.86134311085944        1.35520974486553
C           -6.24333193688157       -5.57193246340024        1.99640840561244
N           -6.16581515555814       -4.83391871114052        3.24204232966761
Mo          -4.16831961437834       -3.96447892911873        3.45100626152431
N           -3.26940911605027       -5.09309519894164        4.87843656204966
C           -3.11461106345920       -6.49476269405857        4.55061405052857
C           -3.89746788265578       -6.84862464807219        3.29119993955011
H           -3.48599196532753       -7.14941701256127        5.35959956964128
H           -2.05330498783692       -6.76061822425345        4.39565536917261
H           -4.94729784011200       -6.98488372864706        3.54889148786714
H           -3.51591296041470       -7.77859754869484        2.84100747938333
H           -6.83245588455709       -5.01823044227906        1.24488103347328
H           -6.76315205727326       -6.53318152078004        2.15306384337562
H           -4.68772603980204       -5.12715958021746        0.56999898353320
H           -4.87487164428314       -6.86380250337412        0.89598484258269
H           -1.23597433304337       -4.20193717701022        0.85407745523562
H           -2.92800325632827       -4.06317584545814        0.36798692623241
H           -1.75639576034891       -5.89335425884690        2.49770431129595
H           -2.40168004366450       -6.40100491939779        0.91543289481985
C           -1.94366015483813       -1.99351966440616        1.94848131468964
C           -0.38849057063925       -2.05982661729351        1.85681363953197
C            0.28104200361915       -2.96311607068142        2.88883141723770
C            1.72749096270584       -3.26767417336221        2.49326766786377
C            2.34560140790283       -4.39646167521578        3.30094613385167
Cl           1.54207385819465       -5.94728607744344        2.93720192074736
C           -2.37237375254466       -0.98426839083446        3.02305121400760
C           -2.02703908140766        0.47388644098193        2.72993404378996
C           -2.63258406862613        0.90057735061480        1.39999718935594
C           -2.12038392713084       -0.01532611984314        0.29729101578427
C           -2.47887692166457       -1.47070874252854        0.58668128058670
C           -7.45326884813758       -4.82672793887293        3.92212471935992
C           -7.67414678685805       -6.17192365330068        4.69467952363778
C           -6.64586636986775       -6.42912556181596        5.78869055663067
C           -6.53146134504150       -7.90599082597339        6.17250782247786
C           -7.83148251451282       -8.43531766514835        6.75611818261320
Cl          -7.63348917133510      -10.11920825790301        7.31454831472870
C           -7.53788695069176       -3.67400006237204        4.93701106930858
C           -7.71819852975641       -2.30960506281954        4.27339734833673
C           -8.97632556072272       -2.25801255519728        3.41841141086421
C           -8.85586818039461       -3.32833083491407        2.34362403367920
C           -8.70696897353122       -4.69167366650782        3.00817529208648
C           -2.74480785729295       -4.77602615702001        6.21950755164287
C           -3.92989122595169       -4.89504340965031        7.21726453934625
C           -3.74060361540539       -4.35233513547549        8.63148802204012
C           -5.00688150250479       -4.56437824783974        9.46144868240403
C           -4.88138276855216       -4.00177557913788       10.86721097176780
Cl          -3.61883239896340       -4.86015083835175       11.79546576877150
C           -1.59125352012276       -5.68435929739142        6.71002424262656
C           -0.28251482017299       -5.30146692883382        6.02724304262140
C            0.23254062604166       -3.98773946211799        6.61692846995050
C           -0.93898012749989       -3.09855917887077        7.04288444158566
C           -2.18706793398964       -3.33273543809851        6.19113355487060
H           -0.11764204227412       -2.41200741200075        0.85897563837868
H            0.01654723166373       -1.05360188820065        1.95121766470134
H           -0.27896349406400       -3.89506811737975        2.96233229393253
H            0.26144141592469       -2.48536236192941        3.86932048064666
H            1.76659471864205       -3.53892129083879        1.43525004374668
H            2.34634558282780       -2.37664929901687        2.62926152462045
H            2.23873697387782       -4.23659572287136        4.37295958414502
H            3.39892205312951       -4.53139305479707        3.05137176947959
H           -3.45890127860955       -1.06121456005799        3.07453207663101
H           -1.93258981851391       -1.27940968514967        3.97751637395187
H           -0.94591423867009        0.62218459422320        2.70246954865681
H           -2.41735710433657        1.09934416633505        3.53786316593010
H           -2.37640953008502        1.93961081020630        1.18091908613529
H           -3.72081074294763        0.82349377102790        1.45431520518008
H           -1.03818269005056        0.09575978104070        0.20313861618429
H           -2.56523782675735        0.27122611976983       -0.65861257234841
H           -2.09145815394653       -2.08772477749510       -0.22527358298355
H           -3.56558057166067       -1.56436399414514        0.58853893787526
H           -8.67776197842158       -6.16578316053655        5.12391813420584
H           -7.63892561869532       -6.98865450376349        3.97045244223911
H           -6.90253712290160       -5.85451095685913        6.68089494661392
H           -5.67954446347454       -6.07727833480642        5.42567410521009
H           -5.73828798596369       -8.02707463216790        6.91383013937219
H           -6.26174863638428       -8.50063075225016        5.29699440579151
H           -8.62911516479061       -8.44606819147537        6.01491145981676
H           -8.14201047406068       -7.85076362205794        7.62282904050078
H           -6.62750551678976       -3.68391546111582        5.53934419342341
H           -8.38753465902954       -3.85856619183065        5.60011150009730
H           -7.74858264716063       -1.52914981103825        5.04007510267011
H           -6.87698639082125       -2.13298440394908        3.60333802082660
H           -9.07315454279409       -1.27087621942805        2.96204072729048
H           -9.86398223802942       -2.43818153238171        4.03021525551559
H           -7.98887903196439       -3.10869366913242        1.71799592146795
H           -9.74424393184171       -3.33214188423164        1.70693265527168
H           -8.72532114662723       -5.48091705867454        2.25754738509970
H           -9.58277085392036       -4.84439315175340        3.64533516360671
H           -4.78103257964471       -4.38142532438461        6.75990886602554
H           -4.18726263875106       -5.95352907665351        7.29299677041761
H           -2.91636494657513       -4.86181515677987        9.13046073805669
H           -3.51273933130273       -3.28497972904497        8.60688170729725
H           -5.23324008660650       -5.63085422937401        9.51718169146208
H           -5.85325154713788       -4.06663371690398        8.97912470250793
H           -4.59211017600817       -2.95065844940626       10.84984050563954
H           -5.80896303190850       -4.11967174538270       11.42729091122768
H           -1.81537955619262       -6.73793445180100        6.55985645383634
H           -1.47003669866601       -5.54878477902306        7.78481134453128
H           -0.46104110288579       -5.18085399868651        4.95900535065795
H            0.46209167610257       -6.08975565531345        6.15494877720816
H            0.86507287923672       -4.18988497024364        7.48471357247594
H            0.84797018125451       -3.46521306371659        5.88273786983191
H           -0.65132379958023       -2.04656725393688        6.96196565316120
H           -1.17566528527688       -3.28166013261730        8.09171614100452
H           -2.95147809216255       -2.64327239732333        6.54753377702557
H           -1.96318357236111       -3.10961251850514        5.14421871205762
N           -4.64386813137952       -2.02214949257321        4.87611469710907
H           -5.26815698944977       -1.37334408144109        4.40512093745806
H           -3.80658797380866       -1.50985701315735        5.13369021473722
H           -5.10758262227941       -2.31821125425995        5.73006870152151
N           -5.01780225797921       -2.99974065478935        2.12919031073436
N           -5.58316706143290       -2.41552344579633        1.34207271095970
116
 energy: -148.617186344694 gnorm: 0.001739499942 xtb: 6.5.1 (b24c23e)
N           -2.50683900063001       -3.29441653246379        2.29207254948190
C           -2.26991536938521       -4.24427050410625        1.22705424160575
C           -2.50204759333270       -5.66110584160407        1.72313037852063
N           -3.81958853168352       -5.73921070981711        2.34063115553297
C           -4.87592757387111       -5.85969442536124        1.35252279490541
C           -6.24230758004318       -5.57416383678928        1.99577202237816
N           -6.16546662280455       -4.83462609019205        3.24007009150770
Mo          -4.16932855904243       -3.96135770447603        3.44774204335805
N           -3.26451807086617       -5.08725041739337        4.87411398130075
C           -3.10405803534015       -6.48722914118781        4.54445398261912
C           -3.88807353200077       -6.84423638103955        3.28619370511007
H           -3.47109524633472       -7.14500301392277        5.35311085663834
H           -2.04171206332370       -6.74869302033115        4.38710355293607
H           -4.93673487946584       -6.98568980782845        3.54612632640669
H           -3.50305410834911       -7.77261545325405        2.83557022310917
H           -6.83470720178044       -5.02392114581256        1.24417787796731
H           -6.75841829269736       -6.53724157381984        2.15420953946824
H           -4.69032463620748       -5.12492067972981        0.56704617525673
H           -4.87225636035719       -6.86206976793900        0.89308640288816
H           -1.24249733784931       -4.18813536375571        0.84325155672985
H           -2.93683862855862       -4.05246474598634        0.36399170767191
H           -1.75280462869883       -5.88402332066119        2.48601411552405
H           -2.40170667142407       -6.39106041547277        0.90512276920151
C           -1.94369256581176       -1.98761646189877        1.95095569088122
C           -0.38750778709648       -2.05694666583096        1.86740500196336
C            0.27166003669763       -2.97113344298631        2.89650357980823
C            1.71119344242705       -3.30190558952824        2.49675595168492
C            2.30636403525129       -4.44911519143945        3.29644997571494
Cl           1.47708246493549       -5.98280918206619        2.91317510946790
C           -2.37579292406835       -0.98052581003032        3.02600832725344
C           -2.02889223081565        0.47818507771385        2.73776759264780
C           -2.62878732455174        0.90771163192080        1.40628561545106
C           -2.11107088347859       -0.00550356179301        0.30402777442689
C           -2.47145013823102       -1.46139517185850        0.58773703365002
C           -7.45224514467482       -4.83101501278581        3.92213817005692
C           -7.66769430356293       -6.17696972006381        4.69437991325843
C           -6.63743130551361       -6.43058064488582        5.78716342628323
C           -6.51912929397982       -7.90658709162984        6.17290974853937
C           -7.81471712119338       -8.43746068317697        6.76435976964459
Cl          -7.60903667478284      -10.12068715610456        7.32445613129445
C           -7.53772571050278       -3.67827126218601        4.93683395108258
C           -7.72204204162031       -2.31442664382904        4.27326318437079
C           -8.98102979476812       -2.26568894767817        3.41941760741962
C           -8.85989991250038       -3.33634373141516        2.34508584229280
C           -8.70740652348745       -4.69901047032210        3.00990322304081
C           -2.74102201254682       -4.76917536218843        6.21574003252401
C           -3.92772008600719       -4.88716335146536        7.21150796662784
C           -3.74277308306871       -4.33939429619445        8.62426311213090
C           -5.00776903798831       -4.55842048847395        9.45442745129922
C           -4.88501310552105       -3.99545374940675       10.86045569620625
Cl          -3.61781706575948       -4.84743802019642       11.78823648430983
C           -1.58842188530686       -5.67716606165389        6.70914789264889
C           -0.27749181800961       -5.29170755783437        6.03194657534873
C            0.23522662026397       -3.98062092401671        6.62909571550446
C           -0.93878083690405       -3.09011098133999        7.04539333167237
C           -2.18267650748884       -3.32605707266588        6.18755927685722
H           -0.11218956960285       -2.40231246259642        0.86859600805828
H            0.01929691336553       -1.05262180459210        1.97181250172961
H           -0.30463708474907       -3.89306242075183        2.97205084173680
H            0.26423734784966       -2.49331609790076        3.87719717790539
H            1.74351724127792       -3.56703376140079        1.43675412570913
H            2.34831963026362       -2.42394818212870        2.63752537900757
H            2.19702549833694       -4.29802845387566        4.36965750857738
H            3.35831190085458       -4.60060274477412        3.05076194153911
H           -3.46254388186597       -1.05703289561943        3.07358433656375
H           -1.93905431686974       -1.27822868274090        3.98099670040203
H           -0.94760610722383        0.62637875418823        2.71529140367131
H           -2.42261357164007        1.10171030745263        3.54552692536380
H           -2.37241888146563        1.94736948168011        1.19058901704652
H           -3.71722060952346        0.82962992152734        1.45560258171037
H           -1.02828458706413        0.10497699400096        0.21641964735173
H           -2.55030286469543        0.28398798378266       -0.65353081034384
H           -2.07929262994516       -2.07641279998302       -0.22362921323226
H           -3.55828915206183       -1.55576830853816        0.58310795768337
H           -8.67112191710761       -6.17566459372604        5.12398437424225
H           -7.62910229749765       -6.99330505611191        3.96985962751855
H           -6.89332080201151       -5.85477649081002        6.67872829591145
H           -5.67242501438658       -6.07785822227631        5.42165164550248
H           -5.72161497901200       -8.02536289143887        6.91002457803655
H           -6.25333906701183       -8.50207722318096        5.29670258304265
H           -8.61664956038135       -8.45203411431371        6.02782043620542
H           -8.12184754986401       -7.85311012612115        7.63217486036800
H           -6.62577977700766       -3.68603230376157        5.53690389475592
H           -8.38535735036835       -3.86457770491928        5.60199111145592
H           -7.75360639933992       -1.53405086824663        5.03988722650080
H           -6.88185227080300       -2.13582843205312        3.60253532027326
H           -9.08026067412721       -1.27892170144662        2.96257812749359
H           -9.86781401854947       -2.44687947913200        4.03227120256245
H           -7.99423679854195       -3.11545949204738        1.71845241420537
H           -9.74893732320552       -3.34200020710000        1.70960167831601
H           -8.72494174184515       -5.48847946430649        2.25954753239963
H           -9.58192153751384       -4.85356097359304        3.64821421496710
H           -4.77879937342085       -4.37683489666920        6.75051790153169
H           -4.18300942890511       -5.94591339241933        7.29002463149137
H           -2.91502923892366       -4.84153096402704        9.12479623372060
H           -3.52272945052758       -3.27046687760037        8.59692832086712
H           -5.22815083533301       -5.62619243420545        9.50998351865982
H           -5.85696651349444       -4.06512661871263        8.97234291219034
H           -4.60136964760466       -2.94276366635820       10.84326419282981
H           -5.81190930164790       -4.11832603262595       11.42053437846410
H           -1.81044701408495       -6.73078998909839        6.55651651935464
H           -1.47145680005172       -5.54306657120345        7.78464000475374
H           -0.45355676338503       -5.16647001879660        4.96392871891987
H            0.46678364192774       -6.08059455697236        6.15829192540825
H            0.85818393730731       -4.18671275979458        7.50270162151154
H            0.85994048807135       -3.45788220687343        5.90298581976718
H           -0.65076334248582       -2.03838275949429        6.96332692091809
H           -1.18156691314799       -3.27029738946859        8.09322035953936
H           -2.94842521716022       -2.63579174056346        6.53930515942200
H           -1.95400701587466       -3.10433038247399        5.14159167456132
N           -4.64743593059797       -2.02102752507151        4.87524569058214
H           -5.27368783857435       -1.37352679458293        4.40504242239578
H           -3.81057572275022       -1.50735407990987        5.13135183064462
H           -5.10933274589750       -2.31776310101821        5.72986389250522
N           -5.01902132891894       -2.99564604209802        2.12666790226570
N           -5.58342468702222       -2.40810991305463        1.34147359793815
116
 energy: -148.617295288771 gnorm: 0.002294038581 xtb: 6.5.1 (b24c23e)
N           -2.51224047634302       -3.28419143916913        2.28561475746842
C           -2.27936924135750       -4.22870920843513        1.21548127116850
C           -2.50253741211110       -5.64791695626800        1.70878091274958
N           -3.81680932775994       -5.73260231594008        2.33280103208117
C           -4.87582083056598       -5.85769222906111        1.34796622313216
C           -6.24162840535589       -5.57781591543772        1.99462653893741
N           -6.16447541204799       -4.83582478659835        3.23664343201974
Mo          -4.17228375000790       -3.95606115015303        3.44191882525839
N           -3.26019574192943       -5.07849771647922        4.86795481303122
C           -3.08982472259642       -6.47575708869460        4.53477625347549
C           -3.87507386007735       -6.83785679121445        3.27819464801234
H           -3.44998164464224       -7.13889626679563        5.34237200963637
H           -2.02576665064402       -6.72940434063068        4.37374455908049
H           -4.92189793817905       -6.98738637036622        3.54133023029989
H           -3.48422106213309       -7.76361473879467        2.82715146250062
H           -6.83943862682659       -5.03305866827149        1.24326521163971
H           -6.75204878396771       -6.54366761950156        2.15602449981587
H           -4.69554459339978       -5.12211753940618        0.56202589077675
H           -4.86942287572881       -6.85992460608254        0.88835435975625
H           -1.25495640818764       -4.16733329854626        0.82498679140802
H           -2.95327322298627       -4.03605429931993        0.35806894461748
H           -1.74851948459701       -5.86948889250026        2.46724730805711
H           -2.40342962984662       -6.37548459653668        0.88864238336345
C           -1.94428857991725       -1.97821649482428        1.95274080821863
C           -0.38734144570259       -2.05293777517084        1.88004686881104
C            0.25766499790615       -2.97891176877416        2.90792405222315
C            1.68573289911870       -3.34816641117795        2.50134623331539
C            2.24836228397154       -4.52029812019539        3.28977334959893
Cl           1.38097331234957       -6.02883433723084        2.88304975945139
C           -2.38044392101428       -0.97354996705329        3.02816602001315
C           -2.02762923979607        0.48508365812714        2.74714617171591
C           -2.61586424815617        0.92024695910489        1.41222074531342
C           -2.09311267764551        0.00882918473574        0.31107969020862
C           -2.46108718953496       -1.44628438212617        0.58747264046318
C           -7.44994387586203       -4.83770556560941        3.92263941316075
C           -7.65694275523101       -6.18504898493105        4.69364656345866
C           -6.62600062601202       -6.43183909791904        5.78731487245581
C           -6.50025150370701       -7.90631622151217        6.17590813715856
C           -7.78775578068127       -8.44077228408321        6.78046214049859
Cl          -7.56921445060885      -10.12477052940830        7.33849543265052
C           -7.53608737753795       -3.68438837999210        4.93658000939414
C           -7.72593168100938       -2.32185490154259        4.27195003627342
C           -8.98760561437397       -2.27884777219650        3.42154253459580
C           -8.86229664648819       -3.34859223157518        2.34671634903671
C           -8.70742460530628       -4.70975668384802        3.01328185514607
C           -2.73816746642220       -4.75987427185408        6.21094839574345
C           -3.92701848372228       -4.87543168911864        7.20409443316029
C           -3.74750102984412       -4.32227323581662        8.61546216702199
C           -5.00990273880657       -4.55210901541852        9.44691451750036
C           -4.88990432344807       -3.98922657969768       10.85359257812175
Cl          -3.61552535090966       -4.83263029548432       11.77923873004588
C           -1.58771503607344       -5.66847379434648        6.70877680415716
C           -0.27308692616637       -5.28006901987194        6.04052870875585
C            0.23667091389908       -3.97244661366761        6.64715336215375
C           -0.94055826925259       -3.08079787476516        7.05163483037028
C           -2.17779850454388       -3.31733416094638        6.18399693772866
H           -0.10671246598714       -2.39310948248647        0.88110804359617
H            0.02286120261211       -1.05123248914011        1.99400695172022
H           -0.34242225885749       -3.88543304498635        2.98994723237440
H            0.26883872714748       -2.49790679079010        3.88717339287870
H            1.70755304379942       -3.60446679041680        1.43856755686114
H            2.34904290042678       -2.48970627963412        2.64770017670183
H            2.13732355191091       -4.38028672003426        4.36446609279453
H            3.29702750569698       -4.69685073317710        3.04735624643636
H           -3.46769946000219       -1.04736007903261        3.06925898912565
H           -1.94963216627426       -1.27574780482496        3.98438191415256
H           -0.94576826805403        0.63042431473924        2.73412037399837
H           -2.42650377472502        1.10713773410588        3.55351489868739
H           -2.35500605562988        1.95976790680570        1.20173805619757
H           -3.70488666387533        0.84491048505909        1.45308609267537
H           -1.00931183357041        0.11502785294801        0.23206517378708
H           -2.52372233893998        0.30362287767727       -0.64875954173892
H           -2.06511869337591       -2.06048946560690       -0.22280322866123
H           -3.54833653312785       -1.53774997898896        0.57467265458575
H           -8.66135995303445       -6.19328872482791        5.12082385227983
H           -7.60942272972733       -7.00048340120958        3.96848286493133
H           -6.88419686336814       -5.85506711076941        6.67743019895988
H           -5.66285948037890       -6.07618933905562        5.42023140456129
H           -5.69537268536139       -8.02062968084937        6.90600736423566
H           -6.24025719950180       -8.50313668603468        5.29876537748367
H           -8.59764045247372       -8.45973213545698        6.05273065238315
H           -8.08799237477161       -7.85913763621893        7.65212225014713
H           -6.62207912151333       -3.68893945681070        5.53340692539052
H           -8.38092046300018       -3.87257369656983        5.60454571347223
H           -7.75761954528553       -1.54042598536124        5.03729496253624
H           -6.88809181999971       -2.14187508628947        3.59871893720640
H           -9.09489813024225       -1.29220134485026        2.96606663001714
H           -9.87134089049058       -2.46636236615470        4.03720188994820
H           -7.99541388585469       -3.12545327847824        1.72316218336430
H           -9.74922758163453       -3.35634884895373        1.70882597865407
H           -8.72600535782091       -5.50137334248490        2.26534068714971
H           -9.57987709364038       -4.86345736691896        3.65442019392223
H           -4.77720069309178       -4.36788638479621        6.73856453320347
H           -4.18111963354394       -5.93423014472678        7.28567771219687
H           -2.91467223120210       -4.81463652753995        9.11711042651979
H           -3.53863876743679       -3.25120820692906        8.58538433619549
H           -5.22120370100382       -5.62172984025756        9.50220367010716
H           -5.86369837160961       -4.06532346489849        8.96618059478164
H           -4.61422877142949       -2.93433182209405       10.83697916862873
H           -5.81538177455793       -4.11934773937908       11.41434044215843
H           -1.80724900392937       -6.72187312552058        6.55159795991960
H           -1.47735448931260       -5.53775220879083        7.78546856544307
H           -0.44492416409628       -5.14924207364492        4.97263206837129
H            0.47034086526921       -6.07002980077908        6.16601203282661
H            0.84751189348290       -4.18341040678760        7.52779121937452
H            0.87248710834017       -3.44939089925389        5.93122696927874
H           -0.65152423790317       -2.02928889227024        6.97097221717591
H           -1.19238713888662       -3.25960261274854        8.09741493635711
H           -2.94536665770196       -2.62550102320329        6.52843275142622
H           -1.94110924713043       -3.09735113508032        5.13974624111880
N           -4.65232250153294       -2.01933081409762        4.87251323372569
H           -5.28047566906207       -1.37263217073618        4.40356897448130
H           -3.81516228547709       -1.50480333793882        5.12594192125899
H           -5.11164764475689       -2.31496146106448        5.72883336505721
N           -5.01970542913789       -2.99018537010547        2.11975319715903
N           -5.58052409303442       -2.40026979011833        1.33377032416846
116
 energy: -148.617350028861 gnorm: 0.001931572460 xtb: 6.5.1 (b24c23e)
N           -2.51559738057679       -3.27837678670011        2.28160701716272
C           -2.28448923103322       -4.22071868604289        1.20912394376019
C           -2.50362680212214       -5.64112239555640        1.70082311049271
N           -3.81617397613728       -5.72884339701494        2.32800044866599
C           -4.87648559810342       -5.85633094105888        1.34474133514285
C           -6.24172001278760       -5.57927894597837        1.99351421508729
N           -6.16385940787579       -4.83638843961039        3.23477447913226
Mo          -4.17439855647499       -3.95370753606378        3.43873427232418
N           -3.25988925643289       -5.07400032502232        4.86532659591333
C           -3.08454720840975       -6.47001152851487        4.52954104013850
C           -3.87000855707949       -6.83406714240775        3.27361013886393
H           -3.44131899572201       -7.13581691366335        5.33633456836062
H           -2.01969926951091       -6.71905678687071        4.36685967383471
H           -4.91600136374538       -6.98679997477619        3.53808424932256
H           -3.47677728491888       -7.75861814279187        2.82229984180203
H           -6.84228520366420       -5.03672212078855        1.24286647634729
H           -6.74949224171730       -6.54633119630965        2.15628983140413
H           -4.69897561441677       -5.12037785496950        0.55854360183568
H           -4.86858582318004       -6.85852311739953        0.88517543309280
H           -1.26149618975803       -4.15696894444906        0.81579067816923
H           -2.96153142999329       -4.02752081163892        0.35452338808567
H           -1.74715029879406       -5.86265268199340        2.45677934292250
H           -2.40549579943226       -6.36714194941707        0.87924739959638
C           -1.94454780428750       -1.97299906274024        1.95239555059306
C           -0.38767182163098       -2.05138217976937        1.88437198298283
C            0.25068241096591       -2.98146111292738        2.91319724750062
C            1.67236562931996       -3.36970818976937        2.50318249026693
C            2.21998164624098       -4.55008899689523        3.28832796594832
Cl           1.33535651790137       -6.04651836751412        2.87683267156553
C           -2.38225586543326       -0.96872080629516        3.02750005844107
C           -2.02396138840048        0.48920636723242        2.74979633937408
C           -2.60442900647947        0.92823210995078        1.41261622228666
C           -2.08126950739493        0.01589480930502        0.31249277684549
C           -2.45615127992258       -1.43787673101916        0.58630529148377
C           -7.44817648399034       -4.84142031197997        3.92326335639528
C           -7.65077515542222       -6.18953095246161        4.69382632358659
C           -6.61990675314339       -6.43237653965183        5.78856207093137
C           -6.48913788614866       -7.90591724763402        6.17881307169976
C           -7.77171587725689       -8.44241180687230        6.79153719810716
Cl          -7.54704193528962      -10.12721118232208        7.34624123123555
C           -7.53471949830001       -3.68798774556716        4.93707846998881
C           -7.72744021621149       -2.32625261832303        4.27160200358689
C           -8.99088995538745       -2.28636239289052        3.42353699495523
C           -8.86249504549396       -3.35515058655913        2.34803263293194
C           -8.70712301681306       -4.71559969803722        3.01570994433399
C           -2.73877145344889       -4.75555603647333        6.20915105270859
C           -3.92875459178339       -4.86961771164227        7.20101128498897
C           -3.75110451267469       -4.31496370615039        8.61209897748625
C           -5.01171868253119       -4.55095099288373        9.44464273399909
C           -4.89216197942502       -3.98950427778180       10.85198082121856
Cl          -3.61370748071822       -4.82960312939844       11.77491171686787
C           -1.59004767328180       -5.66533969066400        6.70914833778997
C           -0.27305819429814       -5.27661544393110        6.04596611502149
C            0.23541018341029       -3.97012835993261        6.65587906475904
C           -0.94303428279393       -3.07770257730379        7.05539109001507
C           -2.17681241864132       -3.31351406828685        6.18274817857319
H           -0.10522701310577       -2.39139404465972        0.88578422882177
H            0.02530814922659       -1.05096415950333        2.00043101957306
H           -0.36080189552371       -3.87989168853009        2.99996678912310
H            0.27114854432703       -2.49751572916624        3.89081647342690
H            1.68921377299087       -3.62436855023917        1.44035882962930
H            2.34748667674961       -2.52110346614126        2.64937736301243
H            2.10948667152718       -4.41199750810873        4.36294305611854
H            3.26614079152873       -4.73879245721611        3.04562617623530
H           -3.46992677977456       -1.03963242158694        3.06454460899159
H           -1.95565228936801       -1.27341027750292        3.98482645811767
H           -0.94162501246447        0.63118437490431        2.74234289158376
H           -2.42496609098563        1.11162254897744        3.55481362069179
H           -2.33825070591534        1.96691080721161        1.20468433841762
H           -3.69393937127332        0.85744125359252        1.44874421757214
H           -0.99680007975932        0.11774503027520        0.23714757450619
H           -2.50733302315255        0.31352209760216       -0.64851759698757
H           -2.06094366534073       -2.05309857221882       -0.22354937594885
H           -3.54376193300916       -1.52489830024847        0.57104673343589
H           -8.65582419908081       -6.20247981861107        5.11940108240841
H           -7.59855213818834       -7.00457619920514        3.96853107348662
H           -6.88060786163365       -5.85563731273471        6.67795992934604
H           -5.65787890463677       -6.07410232071423        5.42128293272031
H           -5.67990071559336       -8.01724841694678        6.90467543264479
H           -6.23249900213692       -8.50369322058306        5.30133991113608
H           -8.58662932590858       -8.46194036063336        6.06951793286241
H           -8.06659835736618       -7.86254719124056        7.66613496482782
H           -6.62002598115525       -3.69073650440136        5.53268056635983
H           -8.37846248804304       -3.87712070701607        5.60602884207400
H           -7.75856655194868       -1.54396535506391        5.03602501340553
H           -6.89107172741859       -2.14607881871985        3.59652057253608
H           -9.10353808933535       -1.29960836234813        2.96956451672919
H           -9.87248349673492       -2.47870534702935        4.04092372962423
H           -7.99413569169104       -3.13052204623554        1.72704965610191
H           -9.74764621346800       -3.36384392464479        1.70774763791629
H           -8.72704826394417       -5.50884916860145        2.26955411593701
H           -9.57844369482045       -4.86780563140858        3.65879428294257
H           -4.77839597096166       -4.36259401564466        6.73396981766177
H           -4.18283261452610       -5.92837643249873        7.28356713168609
H           -2.91563375546904       -4.80299718296749        9.11354401365651
H           -3.54770065438582       -3.24286711095155        8.58151569271616
H           -5.21841602051721       -5.62145599693883        9.49902260462738
H           -5.86807017128387       -4.06714413191997        8.96557562256950
H           -4.62034728510903       -2.93361245318196       10.83660383896832
H           -5.81652521948705       -4.12378914238484       11.41360708872777
H           -1.80904614622427       -6.71842486734277        6.54944529778471
H           -1.48331238934939       -5.53662552452385        7.78645471788586
H           -0.44180769131532       -5.14442390076708        4.97782093960746
H            0.46950998894131       -6.06725518087556        6.17274754065760
H            0.84145165803078       -4.18262835794265        7.53941837748535
H            0.87556907408259       -3.44734913878770        5.94361693792289
H           -0.65309309557255       -2.02628250844091        6.97632832643280
H           -1.19931403956426       -3.25666905581819        8.10005499664596
H           -2.94510744013116       -2.62057028924831        6.52325209357272
H           -1.93571104204771       -3.09453566105714        5.13939856995440
N           -4.65460290432905       -2.01747195626786        4.86852405451494
H           -5.28310184072050       -1.37061192778788        4.40014248038084
H           -3.81686599298493       -1.50306568244555        5.12044204649261
H           -5.11278080290585       -2.31175260764233        5.72600096151896
N           -5.01990825741768       -2.98858885958523        2.11490129731063
N           -5.57727443913689       -2.39768911030228        1.32729711186839
116
 energy: -148.617416434128 gnorm: 0.001898236891 xtb: 6.5.1 (b24c23e)
N           -2.52148350318973       -3.26569913131251        2.27467519125668
C           -2.29370633237933       -4.20481187894792        1.19817886073903
C           -2.50552066060685       -5.62756601744068        1.68687571270207
N           -3.81490410706000       -5.72136007518095        2.31948626713735
C           -4.87717474393239       -5.85393138250740        1.33872687272575
C           -6.24130133277723       -5.58263420649423        1.99139145192643
N           -6.16172159125381       -4.83821393019377        3.23186797972704
Mo          -4.17795422052840       -3.94889471735513        3.43290645064044
N           -3.26169841617913       -5.06574723303410        4.86159893674149
C           -3.07638256784266       -6.45981759428442        4.52037991081265
C           -3.86145925872384       -6.82687475768317        3.26540690966212
H           -3.42719792959296       -7.13053087533702        5.32529128761295
H           -2.00999941916909       -6.69921988884344        4.35520454388194
H           -4.90620686220007       -6.98441179520009        3.53181223705698
H           -3.46433982828921       -7.74933170630500        2.81346888279924
H           -6.84696581698223       -5.04356048506872        1.24263665807717
H           -6.74409628409399       -6.55186105850020        2.15667791221066
H           -4.70498887359746       -5.11738065100394        0.55191253055813
H           -4.86569786483984       -6.85616284949132        0.87949342688062
H           -1.27327819735675       -4.13682883669137        0.79984193778619
H           -2.97632253040338       -4.01075515154920        0.34863193913231
H           -1.74432735593682       -5.84966877140169        2.43783863685186
H           -2.40914542903004       -6.35020412167954        0.86213611554083
C           -1.94500670303159       -1.96119841336548        1.95125408357095
C           -0.38874796246824       -2.04696899579199        1.89010841207410
C            0.23834250817048       -2.98360178107813        2.92103441527881
C            1.64792410873860       -3.40706160341268        2.50461130401976
C            2.16680422316487       -4.60625102231318        3.28143994434126
Cl           1.24531235865442       -6.07813182766437        2.86138568678754
C           -2.38476703592889       -0.95697256262183        3.02561769238703
C           -2.01351843451072        0.49893363065929        2.75389388273918
C           -2.57791940185060        0.94657622741968        1.41234486604390
C           -2.05769638225432        0.03025503463118        0.31409932225825
C           -2.44906836421273       -1.41986486202513        0.58465935153457
C           -7.44359486505952       -4.84967602692010        3.92470147878463
C           -7.63892371629339       -6.19903396806728        4.69519622251872
C           -6.60819862088160       -6.43411944891182        5.79204573706976
C           -6.46685445136750       -7.90575160675276        6.18558187912809
C           -7.74042347238824       -8.44651885453074        6.81278657849703
Cl          -7.50611855600987      -10.13308860580043        7.35825442833570
C           -7.53202668404464       -3.69601039988491        4.93825225880495
C           -7.72969379665042       -2.33576676107596        4.27108250003146
C           -8.99589845023019       -2.30191161907836        3.42660869667028
C           -8.86128136990749       -3.36907981180452        2.35012237171294
C           -8.70522134576358       -4.72813327274174        3.02026796774432
C           -2.74227382338404       -4.74814212733422        6.20695702653484
C           -3.93399508086199       -4.85960027943424        7.19702187999932
C           -3.75870426244909       -4.30358857662295        8.60808335033844
C           -5.01605934773282       -4.54953316665308        9.44274567647920
C           -4.89716060568966       -3.98914361833807       10.85053190392876
Cl          -3.61112754185912       -4.82230121927881       11.76939716478746
C           -1.59711544515553       -5.66041997051645        6.71139035243871
C           -0.27512527165087       -5.27273302428996        6.05812264493060
C            0.23084836719671       -3.96659282500120        6.67063793507174
C           -0.94942371650466       -3.07323477946305        7.06306941762838
C           -2.17707724547191       -3.30717215388636        6.18175722175641
H           -0.10448010700865       -2.38847605496443        0.89222277688915
H            0.03061021034003       -1.04910748583288        2.00759942748550
H           -0.39408000417491       -3.86683176764057        3.01633119390416
H            0.27562914055137       -2.49431158973620        3.89547132612570
H            1.65519699711376       -3.65585481272818        1.44046144944617
H            2.34680349988378       -2.57810319099380        2.65420633419774
H            2.06087996832813       -4.47280571977722        4.35681521658791
H            3.20761721353126       -4.81993454846968        3.03582635323944
H           -3.47333978314857       -1.02060795895052        3.05417052448682
H           -1.96743201110253       -1.26663844352834        3.98551406729231
H           -0.93010738652527        0.63243530383134        2.75723575259676
H           -2.41751960854434        1.12295832881959        3.55617954602239
H           -2.29769546483133        1.98256802222192        1.20888752453021
H           -3.66855440553643        0.88883382167065        1.43970105493050
H           -0.97185685799076        0.12121349073095        0.24421697439604
H           -2.47558441887053        0.33340558126498       -0.64884229235873
H           -2.05978225640770       -2.03850683146826       -0.22533289162307
H           -3.53759722886788       -1.49489602423463        0.56828255894718
H           -8.64489705222380       -6.21884729216128        5.11827551779186
H           -7.57935897043572       -7.01392678967500        3.97038682862625
H           -6.87454397033668       -5.85807637900964        6.68027774142506
H           -5.64845684577171       -6.06978164276557        5.42494062337258
H           -5.65018769160637       -8.01056369375116        6.90417975676045
H           -6.21523520703178       -8.50543426846071        5.30809390758525
H           -8.56448841882783       -8.46438379470837        6.10132133543057
H           -8.02464137531626       -7.87037741205195        7.69345001863137
H           -6.61681040401312       -3.69506373286229        5.53266211157611
H           -8.37448757306214       -3.88713627512414        5.60806428430508
H           -7.76019766684428       -1.55182909434458        5.03376078296113
H           -6.89540752795273       -2.15546443466647        3.59320318333745
H           -9.11806482042278       -1.31516451882487        2.97534085547811
H           -9.87387721313486       -2.50306599286671        4.04642270929295
H           -7.99000965488461       -3.14177717271601        1.73406617389019
H           -9.74273075809717       -3.37965127138154        1.70483840343347
H           -8.72760392251706       -5.52457650094417        2.27762565106818
H           -9.57473240094174       -4.87727814032078        3.66667204877889
H           -4.78282184623579       -4.35278503170213        6.72841009770959
H           -4.18832391043037       -5.91824384687772        7.28070498085138
H           -2.91921889135115       -4.78541164053170        9.10870597464128
H           -3.56348218728592       -3.23002716789113        8.57738488582951
H           -5.21463997104551       -5.62148929689650        9.49669399357367
H           -5.87695709728929       -4.07165474966467        8.96615774640195
H           -4.63222191761970       -2.93156105485973       10.83635075803588
H           -5.81929566534517       -4.13042005551294       11.41411357164172
H           -1.81589782370411       -6.71280484108955        6.54726875117652
H           -1.49728337177691       -5.53523037867554        7.78975856215226
H           -0.43653481874637       -5.14135600161186        4.98889623671296
H            0.46541422388900       -6.06447574425875        6.19089136487415
H            0.83112143063335       -4.17933391810480        7.55798946586838
H            0.87598448177907       -3.44465684312716        5.96215648722571
H           -0.65766909315718       -2.02195258540964        6.98782583804667
H           -1.21289538447802       -3.25367092443127        8.10568477856654
H           -2.94658248067800       -2.61214644799641        6.51516957686506
H           -1.92799737740254       -3.09000108513817        5.14002895254887
N           -4.65978058933371       -2.01369662082742        4.85892915930376
H           -5.28760943979520       -1.36616548072971        4.39042086560453
H           -3.82027516137438       -1.50037799359862        5.10751476622637
H           -5.11643931490941       -2.30376347123780        5.71877575780861
N           -5.01960185117952       -2.98695153178241        2.10453547133814
N           -5.56866634223629       -2.39685831444437        1.31071232942083
116
 energy: -148.617441320682 gnorm: 0.001419181507 xtb: 6.5.1 (b24c23e)
N           -2.52322136957438       -3.26268580430588        2.27346600673160
C           -2.29513929871694       -4.20195975874595        1.19696687886555
C           -2.50640456627021       -5.62499311638054        1.68521233544345
N           -3.81531996871862       -5.71942379035636        2.31823763156263
C           -4.87758851894792       -5.85272062450033        1.33762957633332
C           -6.24166539734523       -5.58278620099589        1.99061799255070
N           -6.16232849627389       -4.83881041642061        3.23176943998690
Mo          -4.18027444008475       -3.94737615216863        3.43168721502239
N           -3.26414594878823       -5.06417900375951        4.86088132776262
C           -3.07763330587601       -6.45832692875972        4.51911487352530
C           -3.86204908950674       -6.82519061639841        3.26400597354729
H           -3.42811788751396       -7.12960793049333        5.32345863272606
H           -2.01114407757927       -6.69606382174343        4.35419436412483
H           -4.90693387499701       -6.98220287526649        3.53011272707175
H           -3.46511913552631       -7.74765860697223        2.81196800810767
H           -6.84795688211476       -5.04354479428792        1.24263932208110
H           -6.74375614086891       -6.55221822807473        2.15585942485185
H           -4.70618126739651       -5.11614482211953        0.55069479814351
H           -4.86511233981327       -6.85493540107885        0.87838582380790
H           -1.27471529077955       -4.13386654388078        0.79864436381357
H           -2.97777821378260       -4.00789490071968        0.34744287694721
H           -1.74468377303673       -5.84774322348699        2.43537499099421
H           -2.41032892292060       -6.34682623771027        0.85968093582494
C           -1.94484502470772       -1.95865059512713        1.94999554912315
C           -0.38881129185960       -2.04687368626159        1.88839464886237
C            0.23728033884730       -2.98267814999499        2.92059388078519
C            1.64441455418630       -3.41010928566380        2.50334241772028
C            2.16036181239630       -4.60858105299271        3.28049694312006
Cl           1.23387747193614       -6.07651738538938        2.86559662435681
C           -2.38336001526087       -0.95283417293376        3.02346445124527
C           -2.00632786952749        0.50176180033910        2.75219853859377
C           -2.56616489975830        0.95203297275872        1.40972152393312
C           -2.05041446772561        0.03233891383991        0.31206823097041
C           -2.44825621331916       -1.41584308212861        0.58387809249303
C           -7.44303696999077       -4.85224460494415        3.92561862650409
C           -7.63662632191311       -6.20178481175876        4.69684763054426
C           -6.60488665248224       -6.43490411103306        5.79305871382934
C           -6.46044401776364       -7.90594953469858        6.18775386268097
C           -7.73192264131090       -8.44724279808729        6.81901985451971
Cl          -7.49709544581087      -10.13426127262116        7.36026247302746
C           -7.53206567354406       -3.69881640938766        4.93941786564813
C           -7.73066330849177       -2.33869687260543        4.27225101690889
C           -8.99670291995008       -2.30544559379124        3.42775425356364
C           -8.86208816188268       -3.37271871603867        2.35147182411076
C           -8.70517536762702       -4.73167398848564        3.02181177903168
C           -2.74604651644680       -4.74729011898752        6.20690538533075
C           -3.93785880637665       -4.85820671328695        7.19715078778658
C           -3.76183800182292       -4.30409068316611        8.60893555330757
C           -5.01814787962717       -4.55183178310521        9.44454399819785
C           -4.89848055839242       -3.99261723782491       10.85265150259683
Cl          -3.61076267822739       -4.82542862900952       11.76960394446754
C           -1.60246566753530       -5.66068981191948        6.71298100388279
C           -0.27891484282827       -5.27530926698489        6.06187645811887
C            0.22699914853011       -3.96752847845785        6.67124739551565
C           -0.95288411049456       -3.07408709912009        7.06436674299803
C           -2.18006560097782       -3.30666745713335        6.18224861577132
H           -0.10574886492863       -2.39063971716169        0.89085513419252
H            0.03241406631485       -1.04952332608220        2.00351172866187
H           -0.39680150467895       -3.86350347907710        3.01847358621613
H            0.27701122588598       -2.49165894852932        3.89381396374421
H            1.65062773967158       -3.65957544127413        1.43944423190515
H            2.34444175931210       -2.58432275869960        2.65121875038186
H            2.05826004109790       -4.47296520114153        4.35622534820455
H            3.19891936316179       -4.82550426756613        3.03135455319580
H           -3.47221108329391       -1.01246714107555        3.04974163866688
H           -1.96916228139761       -1.26350429957710        3.98433378164974
H           -0.92254701754754        0.63119999769454        2.75772404315626
H           -2.40949432931111        1.12739585566424        3.55364503767868
H           -2.27904283182865        1.98609874674342        1.20626140683020
H           -3.65708912359238        0.90169762630133        1.43569781077240
H           -0.96427245119623        0.11839831436846        0.24192649607358
H           -2.46695290220231        0.33658045117016       -0.65104857100382
H           -2.06364172682607       -2.03643065722609       -0.22678203417875
H           -3.53714769817504       -1.48546108904819        0.56964768772996
H           -8.64212719019308       -6.22118639430363        5.12091609077242
H           -7.57761541739939       -7.01713803628566        3.97267328477166
H           -6.87177983052976       -5.85898589627336        6.68122999123807
H           -5.64610010411998       -6.06884562450269        5.42515787741427
H           -5.64192805740739       -8.00886440047029        6.90436701316146
H           -6.21030016038331       -8.50629527907264        5.31033537839103
H           -8.55861925820650       -8.46239911238016        6.11058135638461
H           -8.01219551402781       -7.87193986703835        7.70160709971661
H           -6.61671340863019       -3.69713440872284        5.53363077529594
H           -8.37428157156844       -3.89064628231852        5.60940924403596
H           -7.76132514104509       -1.55471739548474        5.03493591805694
H           -6.89648698490182       -2.15836398209791        3.59419671733636
H           -9.11878682835802       -1.31894069850413        2.97627591351190
H           -9.87458832124053       -2.50648085694851        4.04746555379568
H           -7.99115102620318       -3.14543553635686        1.73486614584982
H           -9.74372804591431       -3.38374038750197        1.70646667411015
H           -8.72721107877006       -5.52808750603555        2.27914914710073
H           -9.57435357912303       -4.88144613836069        3.66847323425756
H           -4.78639056072388       -4.35012251705414        6.72957234563900
H           -4.19294351391229       -5.91665543960328        7.27999260556778
H           -2.92192903222624       -4.78627336872070        9.10845308635547
H           -3.56694527658754       -3.23046386411881        8.57954246881640
H           -5.21564287939833       -5.62401784581621        9.49773986250742
H           -5.87990548769415       -4.07448936944022        8.96910422990553
H           -4.63447656660767       -2.93483580112173       10.83919073219881
H           -5.81980394248169       -4.13529123472142       11.41718024992850
H           -1.82234924010400       -6.71282139517978        6.54866417116278
H           -1.50389726149070       -5.53559304508179        7.79139329978516
H           -0.43751410767756       -5.14740419090392        4.99186649111241
H            0.46052794356201       -6.06730317032011        6.19924027053134
H            0.82945283700216       -4.17785163304741        7.55770001229793
H            0.87002705608655       -3.44645666130169        5.96019495346578
H           -0.66041449477971       -2.02297135491813        6.99023179122680
H           -1.21665016521558       -3.25544960860247        8.10668333610172
H           -2.94958576765906       -2.61107603878067        6.51463423109451
H           -1.92965537092586       -3.08983027723483        5.14074850975959
N           -4.65910301917548       -2.01145368023991        4.85515956167232
H           -5.28449091732653       -1.36349672828966        4.38412644594329
H           -3.81897509065639       -1.49952442690029        5.10428340777246
H           -5.11817023741843       -2.29934976118354        5.71436136247554
N           -5.02034605384785       -2.98644876697093        2.10167428730134
N           -5.56643479639237       -2.39878588892650        1.30401807887914
116
 energy: -148.617468473150 gnorm: 0.001310291863 xtb: 6.5.1 (b24c23e)
N           -2.52510345774085       -3.25577480156911        2.27297512475148
C           -2.29678190136066       -4.19526977105072        1.19640752595346
C           -2.50636547200227       -5.61916422044235        1.68357891871794
N           -3.81474987566982       -5.71620689422433        2.31684407901678
C           -4.87689342429797       -5.85118103732343        1.33644605574419
C           -6.24093007210855       -5.58413486555442        1.99021498586958
N           -6.16197203017448       -4.84013592755507        3.23214444606359
Mo          -4.18116387059744       -3.94553048929069        3.43094339834363
N           -3.26730801240874       -5.06205496450913        4.86158566106557
C           -3.07784857278255       -6.45597363559903        4.51805272937407
C           -3.86073959257494       -6.82257608376383        3.26229979332572
H           -3.42764528316385       -7.12865836163224        5.32131861110316
H           -2.01085821646610       -6.69064047867894        4.35371304192439
H           -4.90584193156427       -6.97985683532876        3.52774516015462
H           -3.46336334199621       -7.74466775127277        2.80975623888334
H           -6.84832370306524       -5.04500803148208        1.24312984040277
H           -6.74144991007276       -6.55415315263426        2.15584971495985
H           -4.70721231243019       -5.11424477992915        0.54941886212813
H           -4.86234627999169       -6.85337926099736        0.87708373168025
H           -1.27648054856885       -4.12645832362662        0.79761672251947
H           -2.97970621961399       -4.00145961717467        0.34682656138713
H           -1.74363708769486       -5.84275624259204        2.43249248905703
H           -2.40999970972186       -6.33950448680652        0.85667450216900
C           -1.94461001352577       -1.95197678571679        1.94981120594945
C           -0.38857432979721       -2.04295799518231        1.88741531842700
C            0.23478078573650       -2.98173775701100        2.91877418830580
C            1.63872388807606       -3.42043843659031        2.49940821445164
C            2.14460485968005       -4.62807930438713        3.27130724854462
Cl           1.19781963643038       -6.08401124653607        2.85738839978216
C           -2.38086883004287       -0.94452914306911        3.02285162704227
C           -1.99487990753182        0.50806357496917        2.75232101312407
C           -2.54854517733061        0.96285838675110        1.40894358872956
C           -2.04039671263961        0.03803557626329        0.31171264144507
C           -2.44839652550169       -1.40719569194808        0.58502204058798
C           -7.44131292620314       -4.85693886420668        3.92681723235001
C           -7.63273861692203       -6.20636993802110        4.69996582375262
C           -6.59751684464346       -6.43742568424416        5.79312678210369
C           -6.44877428137254       -7.90769860395376        6.18934548155648
C           -7.71776629803785       -8.44965377585628        6.82560995875772
Cl          -7.48294730112012      -10.13673845080189        7.36183176957374
C           -7.53270380582043       -3.70386723828106        4.94085184414070
C           -7.73270446828038       -2.34414791205815        4.27334860512831
C           -8.99784509806259       -2.31192535356889        3.42771162370966
C           -8.86445509167554       -3.38089852903985        2.35315069456398
C           -8.70444861937619       -4.73957378452804        3.02382270707095
C           -2.75098050711351       -4.74537009448221        6.20800588285283
C           -3.94336563773049       -4.85618996697859        7.19800149261363
C           -3.76644722762450       -4.30369104565693        8.61046798681759
C           -5.02191818538444       -4.55302442382414        9.44667913014433
C           -4.90234233046547       -3.99245646574417       10.85408018220315
Cl          -3.61176064127862       -4.82160728624589       11.77074358511963
C           -1.60896496633953       -5.65927079111551        6.71659328482172
C           -0.28295607134598       -5.27730156713921        6.06882838360684
C            0.22179838503092       -3.96584177407685        6.67216084946726
C           -0.95816244027039       -3.07271501701728        7.06583013458823
C           -2.18486816853672       -3.30494003860330        6.18316745949565
H           -0.10741854529536       -2.38656120215541        0.88908236755183
H            0.03585166393379       -1.04682131530746        2.00303819614130
H           -0.40640299024887       -3.85780275552584        3.01842600822314
H            0.27978426010725       -2.49003571500191        3.89146263766037
H            1.64211564010108       -3.66684004497713        1.43498727153484
H            2.34940316761126       -2.60311113624794        2.65147422425174
H            2.05023530173186       -4.49213837317825        4.34748130232932
H            3.18031269181062       -4.85664775888868        3.01702248687112
H           -3.47010029899661       -0.99800520809522        3.04625912031100
H           -1.97087621845328       -1.25702900510921        3.98484353911839
H           -0.91046617200774        0.63113355452338        2.76048264844322
H           -2.39598114601683        1.13582603211107        3.55316486133009
H           -2.25047399535144        1.99386315248053        1.20545616867867
H           -3.63988714289911        0.92419995526569        1.43338899210508
H           -0.95371170835888        0.11633229831213        0.24097136587880
H           -2.45516546914420        0.34420819371895       -0.65151402629328
H           -2.07133042749431       -2.03052477104913       -0.22697309882540
H           -3.53786573294818       -1.46883784679331        0.57486913722393
H           -8.63668253316552       -6.22364963123087        5.12783961249818
H           -7.57723558311478       -7.02277707682704        3.97687742707326
H           -6.86298205625716       -5.86156030114977        6.68176757518010
H           -5.64054176725562       -6.06936917569307        5.42241325384961
H           -5.62800796768001       -8.00825469865592        6.90345272325081
H           -6.20060027216941       -8.50890995068048        5.31205939723927
H           -8.54759915634419       -8.46089388634365        6.12076608513237
H           -7.99301873431424       -7.87476400049244        7.71021566078054
H           -6.61763612876929       -3.70059663723501        5.53566973081559
H           -8.37506355682063       -3.89701666639764        5.61046490238386
H           -7.76499588813955       -1.56026827288141        5.03613678911487
H           -6.89763931947889       -2.16320934160675        3.59640524581044
H           -9.11786705618657       -1.32631402951016        2.97407891021657
H           -9.87661147198123       -2.51039190777289        4.04658250230214
H           -7.99567264175388       -3.15384727613112        1.73333567831718
H           -9.74796425846102       -3.39370014244423        1.71070751363394
H           -8.72441899944620       -5.53549988043805        2.28054445056668
H           -9.57329056648555       -4.89205625611570        3.67025348146839
H           -4.79188664872739       -4.34719776933691        6.73142577018613
H           -4.19847036697482       -5.91463572092455        7.27997639695958
H           -2.92624286245197       -4.78641397211684        9.10917778362012
H           -3.57157004207732       -3.22995522885315        8.58231416700169
H           -5.21747470053732       -5.62559745778585        9.50077969438437
H           -5.88490959280668       -4.07778734496774        8.97140178496682
H           -4.64058754905224       -2.93412457057310       10.83958035207009
H           -5.82272051134551       -4.13686797911740       11.41966154526212
H           -1.83003272882573       -6.71125725510276        6.55258419323458
H           -1.51259973876234       -5.53349147124822        7.79502278248007
H           -0.43652888762696       -5.15623979313520        4.99732667595760
H            0.45513275366884       -6.06906021604164        6.21485686880568
H            0.82804527659887       -4.17105695595646        7.55761705028107
H            0.86132025510568       -3.44606404666943        5.95641668539314
H           -0.66553579285042       -2.02167560409611        6.99199876446250
H           -1.22207996352188       -3.25450018455956        8.10804566126677
H           -2.95467730500459       -2.60919971892079        6.51468838396204
H           -1.93346405156008       -3.08857048300137        5.14173827613284
N           -4.66182268014295       -2.00818219907530        4.84878920404707
H           -5.28325063285985       -1.35954483372154        4.37362411813198
H           -3.82079329813846       -1.49855509125126        5.09932111074934
H           -5.12496532941930       -2.29354059152404        5.70661343327572
N           -5.02088809809498       -2.98697161350159        2.09879403658590
N           -5.56231001913750       -2.40263210034946        1.29565005314191
116
 energy: -148.617478120233 gnorm: 0.000582854982 xtb: 6.5.1 (b24c23e)
N           -2.52496129895235       -3.25602044478491        2.27367902889581
C           -2.29687861948933       -4.19536313781769        1.19713771714619
C           -2.50646014152596       -5.61912081825752        1.68460283859849
N           -3.81505180597542       -5.71629479784870        2.31762207206786
C           -4.87706965182500       -5.85098452601729        1.33702850647130
C           -6.24130593137311       -5.58394582991911        1.99059054453143
N           -6.16258670539249       -4.84002930070025        3.23226033406317
Mo          -4.18156623762770       -3.94496804049612        3.43126750299762
N           -3.26735783063095       -5.06209961877568        4.86164910362944
C           -3.07799856162887       -6.45587641968366        4.51870277175108
C           -3.86059802393553       -6.82285086002384        3.26265617455949
H           -3.42817298953826       -7.12858259388513        5.32200479637600
H           -2.01089089328773       -6.69143513381333        4.35470648127440
H           -4.90555306601518       -6.98120585760023        3.52782124085003
H           -3.46240067668760       -7.74458833474090        2.81015856507986
H           -6.84868241378364       -5.04518663940353        1.24313332767300
H           -6.74166090709696       -6.55413350432931        2.15611589791283
H           -4.70719885490308       -5.11376768996602        0.55029257276930
H           -4.86273322744662       -6.85302896007614        0.87731552764283
H           -1.27657706561549       -4.12670853840817        0.79827030101226
H           -2.97986461551536       -4.00164876373418        0.34750882106722
H           -1.74413880833756       -5.84210309153983        2.43417670842366
H           -2.40946234491700       -6.33980581764763        0.85808417042603
C           -1.94428334371526       -1.95248008261878        1.95049208120853
C           -0.38802162834085       -2.04416204644377        1.88773762014311
C            0.23560950294397       -2.98320771664152        2.91835423313703
C            1.63975044111562       -3.42051795107704        2.49823369745243
C            2.14541102913203       -4.62811449724810        3.26993415322729
Cl           1.19927968856396       -6.08362804793190        2.85511911225340
C           -2.37949153295966       -0.94479449889399        3.02375458014612
C           -1.99291511947605        0.50764830701941        2.75279537332911
C           -2.54708575455604        0.96260840299837        1.40947841691634
C           -2.04005988174860        0.03759760314861        0.31200322823724
C           -2.44809595829877       -1.40750512098902        0.58566676928485
C           -7.44212464301269       -4.85699351369643        3.92717645697295
C           -7.63281352928142       -6.20643514845327        4.70012013320218
C           -6.59641737070474       -6.43782659319926        5.79210211356277
C           -6.44822368145113       -7.90828967144490        6.18772356106850
C           -7.71700257816728       -8.44992642804208        6.82469456775949
Cl          -7.48158753719379      -10.13718553373840        7.36173796273269
C           -7.53338885305791       -3.70364363830759        4.94079855386695
C           -7.73334192202620       -2.34413906508833        4.27302368916760
C           -8.99891870935090       -2.31204527362932        3.42787249707223
C           -8.86656768607445       -3.38158762797289        2.35364730337760
C           -8.70543051876655       -4.73991763340022        3.02448852460361
C           -2.75115788108717       -4.74506338643275        6.20809960949642
C           -3.94370176022355       -4.85581587976999        7.19784601722040
C           -3.76723381781661       -4.30354632969876        8.61039911042203
C           -5.02283155271890       -4.55285321425091        9.44658971812234
C           -4.90338797301699       -3.99252256360458       10.85416936732729
Cl          -3.61284020426317       -4.82152271678474       11.77078289941137
C           -1.60888370500730       -5.65847042928306        6.71695977331364
C           -0.28313612014041       -5.27650471493497        6.06851342826885
C            0.22159243813497       -3.96455580785586        6.67068570291802
C           -0.95823832697462       -3.07181930775813        7.06521903677831
C           -2.18554940536021       -3.30445853654554        6.18332314948897
H           -0.10652074987204       -2.38623190643107        0.88931562830241
H            0.03579610602613       -1.04835163654272        2.00460234993143
H           -0.40408445817569       -3.86033862360188        3.01835397402014
H            0.28037210220076       -2.49171392595655        3.89126341880824
H            1.64315180223853       -3.66535727907903        1.43323271381615
H            2.34835684755669       -2.60190299768654        2.65050469085258
H            2.05082345127788       -4.49394770597592        4.34660757820567
H            3.18060981481356       -4.85652928293006        3.01506146142810
H           -3.46877205698928       -0.99760405740500        3.04820833298150
H           -1.96887435404436       -1.25748815182010        3.98548661896864
H           -0.90834014727967        0.63032222371880        2.76049346455995
H           -2.39332491335143        1.13570607114874        3.55378194916348
H           -2.24865382158627        1.99342753653377        1.20559262247819
H           -3.63844569693556        0.92424863632658        1.43450892534569
H           -0.95339458669596        0.11541596947482        0.24036193830104
H           -2.45552059136923        0.34412377138018       -0.65088545126056
H           -2.07079029596915       -2.03101986842353       -0.22604265461336
H           -3.53755157617302       -1.46932009927171        0.57506955148947
H           -8.63646642847125       -6.22421303869766        5.12881402419194
H           -7.57773909082301       -7.02270364453686        3.97659430696121
H           -6.86047250643898       -5.86169370180795        6.68099141198842
H           -5.63972219261915       -6.07031145853361        5.42025596294037
H           -5.62689474423596       -8.00950053610570        6.90133168709664
H           -6.20092712641817       -8.50940869340285        5.31003022981024
H           -8.54715889553200       -8.46202411077884        6.12011360774062
H           -7.99218630908641       -7.87505954841157        7.70933572134090
H           -6.61811314045107       -3.70039574976032        5.53529606656085
H           -8.37546107514247       -3.89660589955460        5.61072926008596
H           -7.76547974658301       -1.56003747243426        5.03554561992493
H           -6.89852138878952       -2.16337100373826        3.59580803013474
H           -9.11855814082665       -1.32651834635333        2.97343122309432
H           -9.87774082064560       -2.50957188190059        4.04736641316509
H           -7.99860203238240       -3.15459502350317        1.73267426088732
H           -9.75109745208228       -3.39485558144905        1.71251360937070
H           -8.72510175609676       -5.53578579339418        2.28111421306288
H           -9.57399276589550       -4.89296419401500        3.67113689529189
H           -4.79181588472708       -4.34644312346092        6.73096182400418
H           -4.19930618972350       -5.91417250308356        7.27957722583559
H           -2.92707902565816       -4.78636423307281        9.10906679112689
H           -3.57229675378143       -3.22980952103308        8.58242854758957
H           -5.21852821539332       -5.62541128876824        9.50053575832660
H           -5.88574734880074       -4.07731185350482        8.97138620446656
H           -4.64177062408068       -2.93417644399481       10.83972428211664
H           -5.82384420193903       -4.13697793985209       11.41965248476213
H           -1.82986426296768       -6.71059962658082        6.55354053708515
H           -1.51207323134319       -5.53219911524144        7.79536162160635
H           -0.43707518082433       -5.15603070192957        4.99704214031341
H            0.45526294864271       -6.06784464634127        6.21464739073192
H            0.82894260434508       -4.16907171558298        7.55542800190870
H            0.85999136542202       -3.44492177350577        5.95400627952869
H           -0.66590944958856       -2.02068081864719        6.99127765849743
H           -1.22147883572067       -3.25383310675640        8.10760781195751
H           -2.95545490375421       -2.60917194709440        6.51576592118459
H           -1.93503790599201       -3.08767552884444        5.14169285543225
N           -4.66182303805315       -2.00706323438819        4.84879837416225
H           -5.28172540772252       -1.35752359946865        4.37276865186786
H           -3.82063836515045       -1.49855426398262        5.10116181755221
H           -5.12696359022406       -2.29217028708372        5.70564006096105
N           -5.02141533051839       -2.98669492540187        2.09907461495602
N           -5.56305375857185       -2.40109213571531        1.29703955084023
116
 energy: -148.617475591217 gnorm: 0.002940800256 xtb: 6.5.1 (b24c23e)
N           -2.52484040584313       -3.25637107877332        2.27543001282679
C           -2.29713857663782       -4.19572322980511        1.19918322853183
C           -2.50663013798989       -5.61921321120091        1.68712239257199
N           -3.81581976439668       -5.71698598214081        2.31901785578843
C           -4.87770715510248       -5.85066726625487        1.33819934352843
C           -6.24229651097490       -5.58349923335150        1.99152537094786
N           -6.16417229396542       -4.83923627658224        3.23234888987915
Mo          -4.18179311809623       -3.94563707341927        3.43175351423008
N           -3.26741109785603       -5.06213116576539        4.86282724575474
C           -3.07890170651040       -6.45555286936820        4.52076843718263
C           -3.86043481337404       -6.82346223927567        3.26372773517776
H           -3.42996141802249       -7.12805806350157        5.32423380599797
H           -2.01164027688791       -6.69304795111542        4.35784399690464
H           -4.90517381722182       -6.98449422984570        3.52790633521730
H           -3.46002550077319       -7.74433697308581        2.81145661997613
H           -6.84975456855208       -5.04574431517067        1.24316574485969
H           -6.74232153544719       -6.55400831025418        2.15710159696242
H           -4.70734561464449       -5.11280114719647        0.55218149945056
H           -4.86386948138557       -6.85233662556683        0.87770709218167
H           -1.27687396704926       -4.12736768132688        0.80011490637920
H           -2.98016458858603       -4.00226842897470        0.34941757647609
H           -1.74539005664062       -5.84061647696993        2.43832108957732
H           -2.40797829880659       -6.34079757819096        0.86165933295511
C           -1.94335244787545       -1.95358112606875        1.95219028969790
C           -0.38675310275501       -2.04624101897164        1.88831026173632
C            0.23721668781479       -2.98680048745785        2.91672516372122
C            1.64247323659609       -3.42085200424585        2.49607652202350
C            2.14893347271847       -4.62917734256274        3.26509527617781
Cl           1.20322013016260       -6.08350717616268        2.84818085763368
C           -2.37530967547203       -0.94521813573753        3.02606225985427
C           -1.98712365413238        0.50669708378693        2.75418432037587
C           -2.54270824250707        0.96193909099216        1.41134224544790
C           -2.03867762355270        0.03628309757078        0.31314604649569
C           -2.44721971771993       -1.40847384485676        0.58728679641555
C           -7.44403362469453       -4.85675596155056        3.92792855370410
C           -7.63294764026659       -6.20619965139973        4.70047142770963
C           -6.59363217685795       -6.43913345380386        5.78929538390513
C           -6.44645186223378       -7.91008238856051        6.18331698720490
C           -7.71450088773906       -8.45106533130846        6.82204911860588
Cl          -7.47746812605468      -10.13843215152984        7.36131782597983
C           -7.53490879584602       -3.70311216411462        4.94104182336252
C           -7.73506723385173       -2.34416011289066        4.27243740592180
C           -9.00162261807265       -2.31234872297460        3.42845411902837
C           -8.87223588576182       -3.38340364721388        2.35523439953610
C           -8.70801343818030       -4.74113963833125        3.02618618907829
C           -2.75169094930536       -4.74396543134156        6.20921522281445
C           -3.94499370571584       -4.85475231341074        7.19790039435469
C           -3.76930199068162       -4.30308468120247        8.61069308000864
C           -5.02547677171209       -4.55241495320168        9.44620672179115
C           -4.90644262823703       -3.99263747435179       10.85416365696102
Cl          -3.61614647622057       -4.82147860974484       11.77078117211274
C           -1.60859434294849       -5.65616780145334        6.71810897366867
C           -0.28376100715065       -5.27436121280565        6.06744109543403
C            0.22099453642439       -3.96088172559311        6.66635444921495
C           -0.95863718608100       -3.06927114386873        7.06341315006891
C           -2.18763882340008       -3.30280947926600        6.18391009579034
H           -0.10547768611968       -2.38549072074578        0.88927968378575
H            0.03664392146893       -1.05105845732544        2.00806807575295
H           -0.40010932008227       -3.86568259294220        3.01637525931403
H            0.28144263050657       -2.49672629910916        3.89048129648651
H            1.64639707537303       -3.66295440875935        1.43018625550442
H            2.34808873933393       -2.60036994471221        2.64936957764376
H            2.05394730597933       -4.49755174081704        4.34237089616985
H            3.18378961091133       -4.85662319204323        3.00963212976985
H           -3.46460397580854       -0.99632920211035        3.05289880453764
H           -1.96330107656519       -1.25831777398268        3.98715132331471
H           -0.90226688292090        0.62815530705975        2.76038468268995
H           -2.38557837176796        1.13556571822638        3.55552200821798
H           -2.24330153184599        1.99230453490968        1.20673866704666
H           -3.63407839451605        0.92468735107939        1.43819522193244
H           -0.95206802405952        0.11296535193592        0.23899703249406
H           -2.45601270739640        0.34342070355943       -0.64883335630166
H           -2.06970809860905       -2.03245511257638       -0.22396897948763
H           -3.53666015936933       -1.47039749908158        0.57635387104711
H           -8.63557152149376       -6.22491873065066        5.13173059612164
H           -7.57962082783036       -7.02196815941748        3.97591567963454
H           -6.85408092433181       -5.86279170783760        6.67909274303893
H           -5.63771449879366       -6.07261735921376        5.41461562147028
H           -5.62369030482235       -8.01315421491400        6.89530549621733
H           -6.20156073410434       -8.51069029060656        5.30448974569358
H           -8.54543508789372       -8.46533163641962        6.11832183865999
H           -7.98931047770251       -7.87590948813464        7.70654447186881
H           -6.61915147492144       -3.69977446679231        5.53490366964643
H           -8.37649911292158       -3.89568942212048        5.61159963909416
H           -7.76689508593049       -1.55950450720146        5.03433584426928
H           -6.90059560220803       -2.16364407312072        3.59479326092647
H           -9.12067864218580       -1.32724916622514        2.97230912277164
H           -9.88022731204089       -2.50758948706642        4.04942340795231
H           -8.00677068125267       -3.15643105193683        1.73082138130991
H           -9.75942100937452       -3.39792115084764        1.71764942582992
H           -8.72699010382568       -5.53693170095420        2.28262351949230
H           -9.57573334132342       -4.89576546564195        3.67360318935875
H           -4.79214607412108       -4.34455005929394        6.73007075383001
H           -4.20152702645357       -5.91294929705722        7.27887259952657
H           -2.92943090907112       -4.78622042820894        9.10949989738661
H           -3.57421353591228       -3.22934340314011        8.58327412256980
H           -5.22158351527484       -5.62492002761196        9.49960519325463
H           -5.88803477214828       -4.07615355330443        8.97096276168266
H           -4.64526992127924       -2.93418272919389       10.84006909237556
H           -5.82716274973834       -4.13745319643549       11.41918966486067
H           -1.82937392141447       -6.70865082990600        6.55635639535649
H           -1.51053066008465       -5.52839378830937        7.79629345288806
H           -0.43910229057030       -5.15587762352649        4.99596696430093
H            0.45535948859001       -6.06481509112437        6.21404118470529
H            0.83161363651137       -4.16314944678861        7.54925483370660
H            0.85612518925739       -3.44146737938907        5.94678945228883
H           -0.66735029684774       -2.01785132880630        6.98906836083790
H           -1.21987207132717       -3.25170953598324        8.10629735096876
H           -2.95764706130264       -2.60867532486867        6.51878342581855
H           -1.93966869831453       -3.08517752974179        5.14174754007678
N           -4.66343981870836       -2.00458845354470        4.84769865220924
H           -5.27915549568229       -1.35288454189239        4.36897656031140
H           -3.82186934055975       -1.49889289170838        5.10466404753800
H           -5.13382805615605       -2.28843327855510        5.70215729741713
N           -5.02172442057433       -2.98003877809847        2.10489891253179
N           -5.56620860367409       -2.40133282649926        1.29975898104001
116
 energy: -148.617490942419 gnorm: 0.001970065156 xtb: 6.5.1 (b24c23e)
N           -2.52476098556446       -3.25654544534658        2.27681154306432
C           -2.29718659793513       -4.19604126751094        1.20079550594600
C           -2.50684714789065       -5.61920697043865        1.68923762658970
N           -3.81642586213095       -5.71683549878085        2.32049951069530
C           -4.87802697777737       -5.85023713767008        1.33928411211883
C           -6.24291085914304       -5.58327221415488        1.99233431796330
N           -6.16503741255295       -4.83887267192432        3.23273295686435
Mo          -4.18222878212553       -3.94461727922709        3.43306588153266
N           -3.26754379694502       -5.06209761291494        4.86352477800141
C           -3.07969003830578       -6.45548663353560        4.52236657436882
C           -3.86051954739930       -6.82368128516176        3.26467055379859
H           -3.43137866510542       -7.12764564273524        5.32600869020364
H           -2.01242191058857       -6.69410002052408        4.36016434498970
H           -4.90518852536765       -6.98648960630134        3.52806280188363
H           -3.45859677596405       -7.74386382928823        2.81227552938026
H           -6.85043725562208       -5.04604776309858        1.24348265563734
H           -6.74269974339146       -6.55399873904230        2.15790822477955
H           -4.70739954178991       -5.11201003807366        0.55368031596973
H           -4.86424819166521       -6.85169362140528        0.87835079076658
H           -1.27697511381191       -4.12796775842757        0.80153618236180
H           -2.98024544203641       -4.00277581751200        0.35097561532511
H           -1.74626432699571       -5.83968789285253        2.44135883992076
H           -2.40736017227120       -6.34149691483821        0.86453475056269
C           -1.94257688452973       -1.95430734092783        1.95340446632334
C           -0.38588645965151       -2.04734154355193        1.88850997307054
C            0.23824362083954       -2.98921659451543        2.91535651765688
C            1.64443330204886       -3.42117017029454        2.49479168173669
C            2.15200307692229       -4.63034444836352        3.26124674788123
Cl           1.20620945672714       -6.08399421202694        2.84294141203583
C           -2.37219866553258       -0.94543406332960        3.02765775943324
C           -1.98281264823011        0.50603906247531        2.75522197177655
C           -2.53940163898900        0.96147692319420        1.41288472321764
C           -2.03756068782312        0.03527010954773        0.31414047163004
C           -2.44669658162920       -1.40921669663230        0.58856436717342
C           -7.44513837827615       -4.85660881925291        3.92851580545082
C           -7.63309321845732       -6.20601072553771        4.70086102109771
C           -6.59178234884521       -6.44020900103679        5.78743504373232
C           -6.44501417891437       -7.91151512261439        6.18018387526696
C           -7.71246006309153       -8.45216154045636        6.82011818915616
Cl          -7.47429227013473      -10.13938351066720        7.36095779470632
C           -7.53586516233895       -3.70284775770837        4.94140353882129
C           -7.73631171425987       -2.34425528183404        4.27217777913609
C           -9.00344994308830       -2.31264982714202        3.42897077306100
C           -8.87605218265810       -3.38465939440147        2.35643772110848
C           -8.70960662792111       -4.74211005942187        3.02736872137549
C           -2.75227626840139       -4.74305327877872        6.20988647313391
C           -3.94604375977926       -4.85398539414809        7.19795279012199
C           -3.77074639599641       -4.30279788485397        8.61098005376914
C           -5.02740007394826       -4.55212931254208        9.44581265703451
C           -4.90878245837499       -3.99274553146191       10.85401247536789
Cl          -3.61874931225842       -4.82158495046901       11.77073906488731
C           -1.60855918994123       -5.65437883872242        6.71874022236040
C           -0.28439418627236       -5.27281016672999        6.06644742130328
C            0.22040612018780       -3.95813942120530        6.66296215074756
C           -0.95917991379814       -3.06738442598797        7.06190156324685
C           -2.18935995190830       -3.30147628227810        6.18416289415336
H           -0.10531762901046       -2.38526702260347        0.88886919790000
H            0.03781323805355       -1.05246972796106        2.00990879377478
H           -0.39818490661172       -3.86881372155395        3.01399584208003
H            0.28203788627906       -2.50057127271397        3.88984972336470
H            1.64892573490231       -3.66186948662246        1.42854851470541
H            2.34916250518160       -2.60014625340437        2.64921940686400
H            2.05703125700969       -4.49959963763638        4.33864116976124
H            3.18706194545368       -4.85685429587548        3.00564576167739
H           -3.46145258468045       -0.99539221055990        3.05593915952271
H           -1.95938628008644       -1.25875795565814        3.98832845387367
H           -0.89783319699367        0.62654276076534        2.76025242615079
H           -2.37979831513885        1.13548529090432        3.55681515793364
H           -2.23925028095965        1.99152456242583        1.20789734579913
H           -3.63076307896681        0.92522383584778        1.44112326051353
H           -0.95099132203927        0.11117408538926        0.23821644134857
H           -2.45618546818598        0.34268286087720       -0.64721036661675
H           -2.06938868498865       -2.03350559417908       -0.22258119666671
H           -3.53615264598705       -1.47103628226210        0.57794770346606
H           -8.63487412089235       -6.22499864416673        5.13409201473323
H           -7.58136996645414       -7.02138016498737        3.97567196325418
H           -6.84985834413680       -5.86404170489125        6.67801220596898
H           -5.63644286392275       -6.07406374038059        5.41090403853892
H           -5.62127608597023       -8.01590027434529        6.89087548751685
H           -6.20182410239348       -8.51158101014389        5.30050201711176
H           -8.54389160853679       -8.46783826035459        6.11705919799699
H           -7.98690482698823       -7.87657821735091        7.70437038395906
H           -6.61987614114876       -3.69935243820175        5.53499989086213
H           -8.37728923208224       -3.89519039582647        5.61225580632175
H           -7.76792818277421       -1.55918887128828        5.03365426869868
H           -6.90199631559924       -2.16389714513083        3.59430765610283
H           -9.12231552763234       -1.32793931785828        2.97189615309936
H           -9.88171238715707       -2.50648673322918        4.05086775535959
H           -8.01244042497798       -3.15762190058385        1.72951279325520
H           -9.76502812739606       -3.40006681310972        1.72131171290925
H           -8.72815337026312       -5.53786606506369        2.28370107880570
H           -9.57675426324085       -4.89784982084831        3.67533818859578
H           -4.79266197801734       -4.34330477085324        6.72956925217890
H           -4.20300655184280       -5.91210789102309        7.27839146036667
H           -2.93115803787273       -4.78621100632686        9.10999684004791
H           -3.57551373313124       -3.22906181036629        8.58402753101057
H           -5.22383650555763       -5.62458556609626        9.49876995938699
H           -5.88962622629213       -4.07541703327685        8.97041423491426
H           -4.64794076129165       -2.93418834956914       10.84028703718232
H           -5.82972129022521       -4.13792350845379       11.41861811881967
H           -1.82919084236186       -6.70710935509817        6.55826262111790
H           -1.50963353644580       -5.52540883835457        7.79670964969352
H           -0.44078149206524       -5.15595913466583        4.99491041675523
H            0.45517462657781       -6.06274663230426        6.21356596867288
H            0.83348384122220       -4.15864735000266        7.54459158624215
H            0.85312541055234       -3.43880685533232        5.94119377338994
H           -0.66870225181474       -2.01576110009359        6.98729050707699
H           -1.21888435524101       -3.25008863931622        8.10514746938405
H           -2.95939917324678       -2.60812392274666        6.52066532070679
H           -1.94316380433389       -3.08331510190499        5.14167869141872
N           -4.66519663044667       -2.00244518068567        4.84729868969142
H           -5.27784031853345       -1.34976760256058        4.36585259609152
H           -3.82351322987670       -1.49845135812182        5.10734983291997
H           -5.13951773851474       -2.28492496142243        5.70008078235904
N           -5.02286927466611       -2.98394574127292        2.10305905739622
N           -5.56659105691058       -2.39579826542267        1.30423248088619
116
 energy: -148.617497598859 gnorm: 0.000880134786 xtb: 6.5.1 (b24c23e)
N           -2.52428209797741       -3.25641757249725        2.27681617294974
C           -2.29693381690337       -4.19606263477863        1.20045727305344
C           -2.50678903168287       -5.61924503805650        1.68890054178870
N           -3.81603876598457       -5.71630727581292        2.32071096990860
C           -4.87760856445021       -5.85020204473401        1.33946579808972
C           -6.24242276796955       -5.58353379801526        1.99240260970909
N           -6.16457317723430       -4.83920802939540        3.23332032340571
Mo          -4.18293601877901       -3.94347639524154        3.43264271478411
N           -3.26823293595300       -5.06142231720901        4.86258460556904
C           -3.07997619778448       -6.45551465277867        4.52202555111543
C           -3.86090221745637       -6.82357919752833        3.26479051308645
H           -3.43171956916204       -7.12710787170291        5.32580070452311
H           -2.01288825106521       -6.69316538289082        4.35976720637094
H           -4.90580795896798       -6.98521206875443        3.52816412777382
H           -3.45968795130416       -7.74405263605705        2.81230130629332
H           -6.85006440675728       -5.04590377704448        1.24405695294669
H           -6.74214449381166       -6.55416980951887        2.15801348015305
H           -4.70721655657804       -5.11224423432209        0.55358301864967
H           -4.86339121147058       -6.85178660057490        0.87880511927178
H           -1.27681667991812       -4.12803113375133        0.80102491800634
H           -2.98015658937059       -4.00255148328784        0.35092592899682
H           -1.74568229912968       -5.84064773170668        2.44014564748224
H           -2.40824709108278       -6.34115949088950        0.86371323516205
C           -1.94185136026846       -1.95399915734037        1.95332997420469
C           -0.38555123701851       -2.04738060138166        1.88781284439524
C            0.23879436331256       -2.98878873963280        2.91543201874977
C            1.64426945499973       -3.42159807863414        2.49439479625398
C            2.15170050922047       -4.63073161696284        3.26224086559557
Cl           1.20648772795407       -6.08560182818426        2.84431132202388
C           -2.37272740322501       -0.94535202820574        3.02738565744963
C           -1.98335109315038        0.50609552909763        2.75519228638184
C           -2.53957020031372        0.96191352318191        1.41306752642123
C           -2.03746322727845        0.03581023953015        0.31427390860503
C           -2.44695310956609       -1.40856856886765        0.58911560606918
C           -7.44435533520197       -4.85707979345579        3.92871178788767
C           -7.63321976671631       -6.20651265604568        4.70134851334291
C           -6.59248198191400       -6.44026192791563        5.78851917233371
C           -6.44466533380629       -7.91163824180410        6.18073847990077
C           -7.71200038202636       -8.45291362182192        6.82045061982631
Cl          -7.47410937492165      -10.13960288403482        7.36068085377294
C           -7.53571896503958       -3.70332287667321        4.94162760660455
C           -7.73635392725295       -2.34445994792876        4.27272571533236
C           -9.00324660119458       -2.31306616594243        3.42949503630799
C           -8.87461300905260       -3.38412666309809        2.35633569620733
C           -8.70860743757479       -4.74181215111311        3.02720979223152
C           -2.75285931714493       -4.74282747067425        6.20902449032730
C           -3.94587101737233       -4.85409224273239        7.19800371804922
C           -3.77051215162792       -4.30294178581163        8.61110799775630
C           -5.02716299829157       -4.55207457349498        9.44580546520014
C           -4.90912271521491       -3.99275664434367       10.85396583808423
Cl          -3.61917305302117       -4.82177173484014       11.77097405723031
C           -1.60928157004506       -5.65416909105972        6.71829868000423
C           -0.28499430445329       -5.27288237839884        6.06623506598502
C            0.21980509764243       -3.95825919490664        6.66284982043364
C           -0.95985595078770       -3.06731474702864        7.06163758233784
C           -2.18967954993137       -3.30133881864806        6.18358419144727
H           -0.10562844166271       -2.38691529897591        0.88807760464465
H            0.03920501988806       -1.05225416306628        2.00721941943107
H           -0.39898600872705       -3.86748361213236        3.01251970832977
H            0.28212369100925       -2.50044798442483        3.88999563309206
H            1.64872821308247       -3.66262225367593        1.42844345192487
H            2.35100597997901       -2.60195114359096        2.64999258648158
H            2.05810741725638       -4.49916649003255        4.33937977455576
H            3.18708863653389       -4.85729320881143        3.00611174827947
H           -3.46195652339697       -0.99556032460507        3.05473972121582
H           -1.96061270499321       -1.25863284373936        3.98824671025210
H           -0.89852535779576        0.62654499751590        2.76044133004265
H           -2.38042677422384        1.13531745541966        3.55687650073190
H           -2.23933154241437        1.99199446725640        1.20825551283262
H           -3.63091933346228        0.92592614841692        1.44089102404113
H           -0.95088637235502        0.11170097535789        0.23907847459995
H           -2.45550990672784        0.34297130731964       -0.64731261028975
H           -2.07088548366100       -2.03275710283804       -0.22267746884784
H           -3.53646079479752       -1.46958330252329        0.57962638868695
H           -8.63501843093664       -6.22412349728916        5.13435280602659
H           -7.58201476631667       -7.02202103502276        3.97662407465173
H           -6.85200560380397       -5.86505911979037        6.67927309963052
H           -5.63711869375729       -6.07286324459965        5.41312198486772
H           -5.62122526544782       -8.01540598462349        6.89147667912222
H           -6.20086570106113       -8.51130473571714        5.30105279767670
H           -8.54323260770159       -8.46776283299910        6.11732987791136
H           -7.98636022281111       -7.87695554250294        7.70452048351485
H           -6.62006624838601       -3.69971652049640        5.53563166948464
H           -8.37740490721021       -3.89595880336204        5.61217483791414
H           -7.76781435330649       -1.55942681703268        5.03435010689802
H           -6.90219084581225       -2.16416385325090        3.59462475131604
H           -9.12262661678041       -1.32831880720222        2.97336042639200
H           -9.88115719720071       -2.50819144767285        4.05098578963498
H           -8.01043765371162       -3.15688138149577        1.73026976707075
H           -9.76276484991241       -3.39931544302394        1.72020052419987
H           -8.72726812544460       -5.53747696587133        2.28353981765669
H           -9.57603009310395       -4.89731734957855        3.67488461214707
H           -4.79303513825418       -4.34379395310161        6.73029206062002
H           -4.20220652156442       -5.91231332033915        7.27866925071134
H           -2.93105885468426       -4.78651678419605        9.11019842274554
H           -3.57501005450063       -3.22927500732617        8.58416104336986
H           -5.22361538277503       -5.62452477357504        9.49875343491077
H           -5.88923553517465       -4.07562527887780        8.97000233795671
H           -4.64807793906326       -2.93423931589954       10.84037586307635
H           -5.83010825218303       -4.13795510945077       11.41844921494055
H           -1.83000253239113       -6.70681935409992        6.55770768142943
H           -1.51048796135485       -5.52526270995198        7.79621764644253
H           -0.44092300395700       -5.15609478381574        4.99458014928625
H            0.45441909635607       -6.06304613062227        6.21366269246900
H            0.83264980680523       -4.15894159314524        7.54469098132066
H            0.85291496946210       -3.43891422222309        5.94128632282058
H           -0.66911166235506       -2.01576350306256        6.98717979113517
H           -1.21955494173366       -3.25004564297581        8.10483691601148
H           -2.95977609908013       -2.60767442245501        6.51914097169516
H           -1.94292126232330       -3.08368682658973        5.14125336050896
N           -4.66479763758815       -2.00276782777844        4.84764065616716
H           -5.27783446439485       -1.35177374923977        4.36466671407977
H           -3.82396635487902       -1.49724638980506        5.10698955697130
H           -5.13916612596884       -2.28422477954488        5.70062161011540
N           -5.02298791902219       -2.98403274886780        2.10143511919179
N           -5.56618177850209       -2.39595661896762        1.30231639001059
116
 energy: -148.617501977066 gnorm: 0.000472188741 xtb: 6.5.1 (b24c23e)
N           -2.52402193505997       -3.25637659943537        2.27719283771359
C           -2.29694928814790       -4.19624203745350        1.20081422511747
C           -2.50698337578031       -5.61937897074512        1.68931701735337
N           -3.81627203398136       -5.71630485788395        2.32091683630675
C           -4.87785423761915       -5.85021533985877        1.33971378306560
C           -6.24253778718470       -5.58358825104480        1.99282400317097
N           -6.16464718807606       -4.83891757555254        3.23372894709533
Mo          -4.18254111191313       -3.94400548492445        3.43309958279383
N           -3.26898375577717       -5.06119850787897        4.86347138642335
C           -3.08080411542492       -6.45544770169037        4.52278790088848
C           -3.86135664734774       -6.82339498643767        3.26535232208445
H           -3.43279662832966       -7.12658421276795        5.32667979946815
H           -2.01376753379651       -6.69291539858464        4.36089697305960
H           -4.90633306273011       -6.98502682613074        3.52835625560004
H           -3.46008900755610       -7.74380291160948        2.81283724754486
H           -6.85026527007196       -5.04596604501722        1.24460089861499
H           -6.74220105773923       -6.55416336486393        2.15871640094705
H           -4.70753467941631       -5.11226297657142        0.55380865216013
H           -4.86348417458145       -6.85183701294256        0.87913912805752
H           -1.27691529405991       -4.12836662325107        0.80122980035422
H           -2.98028072643259       -4.00261231211893        0.35146046676455
H           -1.74587050750991       -5.84095440532188        2.44051626009549
H           -2.40854258272289       -6.34132633893459        0.86413274998797
C           -1.94106159290958       -1.95406826477993        1.95368200502245
C           -0.38500402637658       -2.04823019302831        1.88724637393195
C            0.23987864084282       -2.99002668396830        2.91436594656323
C            1.64544669503507       -3.42220320792600        2.49355823818664
C            2.15339771548948       -4.63165926690171        3.26092758446356
Cl           1.20811970933065       -6.08675432843159        2.84332763920764
C           -2.37103120523242       -0.94541645098858        3.02814954827846
C           -1.98106912623208        0.50587428171687        2.75595151822906
C           -2.53765920111187        0.96224998683101        1.41419133302980
C           -2.03662198940006        0.03594326588127        0.31502918950990
C           -2.44682713434757       -1.40823269262939        0.58994713458731
C           -7.44430963859774       -4.85699796604766        3.92904778336033
C           -7.63337798761936       -6.20645777580515        4.70187613319134
C           -6.59207199453492       -6.44079761786316        5.78839051827073
C           -6.44339934595118       -7.91243802624007        6.17941054380541
C           -7.71029545084140       -8.45430869545969        6.81962086317020
Cl          -7.47177427098910      -10.14058434582600        7.35997550936720
C           -7.53593774755807       -3.70347759921679        4.94223813535051
C           -7.73693835406289       -2.34470480132733        4.27322769045252
C           -9.00409352171630       -2.31357955609567        3.43038518922867
C           -8.87536539231141       -3.38445073869118        2.35705241304341
C           -8.70874150592991       -4.74224707705789        3.02761359473991
C           -2.75353761195375       -4.74215737713659        6.20959653669896
C           -3.94661085398678       -4.85378253311495        7.19841072561962
C           -3.77116027821545       -4.30281860961395        8.61155937005181
C           -5.02823463531499       -4.55188440331666        9.44560307579867
C           -4.91083894635547       -3.99283103101397       10.85387706940663
Cl          -3.62128104334889       -4.82202185478979       11.77139364656579
C           -1.60954676224627       -5.65311802793167        6.71846007788730
C           -0.28567065172115       -5.27194067437904        6.06552487286872
C            0.21902906166950       -3.95667085311564        6.66084193728859
C           -0.96059978459468       -3.06610779427473        7.06067479419618
C           -2.19086955589726       -3.30049131226238        6.18349268199667
H           -0.10591977365912       -2.38820346798098        0.88735615207443
H            0.04060921879590       -1.05327907847252        2.00579875519558
H           -0.39758253756203       -3.86902370793511        3.01068180785262
H            0.28267820881708       -2.50221277555013        3.88912897704910
H            1.65022745458575       -3.66266860647269        1.42759662132302
H            2.35224445775503       -2.60265884578271        2.64993253397425
H            2.06030006644937       -4.50039274698855        4.33806803482849
H            3.18874590983874       -4.85808993171359        3.00411976407195
H           -3.46026962492542       -0.99516180721282        3.05551223286776
H           -1.95910450577467       -1.25893264667519        3.98899363127697
H           -0.89618099517100        0.62559028982705        2.76069205660282
H           -2.37737075648652        1.13519963492082        3.55796146286800
H           -2.23683998031617        1.99217492368943        1.20936234981094
H           -3.62903584773888        0.92703833827155        1.44241906225338
H           -0.95004239065936        0.11120830021112        0.23939114611874
H           -2.45493994150730        0.34332851190640       -0.64633607675218
H           -2.07211497133606       -2.03262828193511       -0.22231564276788
H           -3.53637623210119       -1.46835103681816        0.58158383401021
H           -8.63484640960822       -6.22325931884581        5.13565632626572
H           -7.58333678504195       -7.02200247124206        3.97718560546411
H           -6.85157726694703       -5.86658380209532        6.67979058555562
H           -5.63703629310884       -6.07250952750464        5.41305655127109
H           -5.61949776534164       -8.01647963225983        6.88952365711694
H           -6.20006093666690       -8.51140399922331        5.29913132960356
H           -8.54175941628897       -8.46928341541094        6.11677205768992
H           -7.98447759472781       -7.87809882650565        7.70361782322678
H           -6.62041096230572       -3.69969242911677        5.53644817357168
H           -8.37772086982521       -3.89634540911441        5.61261657445930
H           -7.76822219986121       -1.55962388537513        5.03480669598371
H           -6.90294414555224       -2.16438783283793        3.59490405257316
H           -9.12399774070943       -1.32881095557814        2.97449472931494
H           -9.88171111931452       -2.50930347711306        4.05204274129517
H           -8.01152770609259       -3.15682606595800        1.73063528692941
H           -9.76373800450938       -3.39998359750108        1.72123525710883
H           -8.72718450068806       -5.53778064237544        2.28379750072607
H           -9.57605240260543       -4.89815269882045        3.67534715091290
H           -4.79391641955707       -4.34353769300930        6.73087631873146
H           -4.20266464769628       -5.91207197457093        7.27896849518316
H           -2.93199442255289       -4.78679094895880        9.11076198306850
H           -3.57524925585002       -3.22922004326800        8.58479661035818
H           -5.22486153168066       -5.62433388063674        9.49829241817872
H           -5.89001024390092       -4.07528280982829        8.96940487992726
H           -4.64981555465304       -2.93430272429399       10.84069418233697
H           -5.83205303958963       -4.13822678905952       11.41791688679948
H           -1.83029503397574       -6.70587035040435        6.55854841615019
H           -1.51029261319537       -5.52353650407399        7.79621388825116
H           -0.44194975796371       -5.15608662564691        4.99379965507625
H            0.45399754320475       -6.06181020861911        6.21333590316657
H            0.83315503661641       -4.15642431905844        7.54201529965556
H            0.85087081459664       -3.43734136896708        5.93814819196112
H           -0.67020360689022       -2.01446534949879        6.98606739093064
H           -1.21944527898832       -3.24902963402133        8.10405585882115
H           -2.96104474668731       -2.60709357492944        6.51940573047359
H           -1.94477097961195       -3.08300604714469        5.14096251615876
N           -4.66627515955642       -2.00143819654767        4.84584886092968
H           -5.27824546779450       -1.35054587974777        4.36144696687221
H           -3.82573481019883       -1.49600359835014        5.10640307182027
H           -5.14219183088322       -2.28227162242018        5.69819052434629
N           -5.02283853655617       -2.98439866505625        2.10203990164208
N           -5.56636819757159       -2.39543802476729        1.30366760934716
