93 energy: -132.044389023453 gnorm: 0.098858569433 xtb: 6.5.1 (b24c23e) N -3.43138161046231 -3.39152268394937 2.01602926393866 C -3.04110284035293 -4.36522357822632 0.99306696495510 C -2.61282474483400 -5.69444297896266 1.60733336449850 N -3.52678904412415 -6.09962262735377 2.67824093785538 C -4.82722339023411 -6.59766326452652 2.22172733201486 C -5.89903238832103 -6.32903462577381 3.27488632750860 N -5.81526764909118 -4.95888243224802 3.78331631195921 Mo -4.07588777805818 -3.98721772365776 3.80066915546581 N -2.67343263893184 -4.76539940036274 4.98077095763542 C -2.01625743423589 -6.02652615837471 4.62243580391760 C -2.90400195233870 -6.89709921093478 3.73953887084279 H -1.77492885636522 -6.61414644218069 5.52191287843378 H -1.05148277726263 -5.82736443935518 4.11536881572302 H -3.70965327875397 -7.30802701181890 4.36230403499641 H -2.32496482271044 -7.74937211845637 3.33265129571491 H -6.88191450658541 -6.51841860335634 2.81080970446005 H -5.80905371088298 -7.05957999146811 4.10258190334295 H -5.08603407507678 -6.04512740044122 1.30670857456807 H -4.79260765232601 -7.67613304811356 1.96872989403127 H -2.18988585516477 -3.99036326169442 0.40224072338741 H -3.86998849444442 -4.52379097749908 0.27557386976856 H -1.61964750941518 -5.56187986661310 2.05721294717252 H -2.52534288242021 -6.47005096344433 0.82069541180211 C -3.60438314423038 -1.70192913367424 0.15468262547441 C -3.29992166231051 -1.97416917734160 1.63010957229000 C -1.92655256318990 -1.38490781889113 2.07697156438558 C -0.72385104979514 -2.17144165245173 1.64276969599049 C -0.22671901880050 -3.19968805935908 2.45994316298171 C 0.85141778154909 -3.98240782842656 2.05352743280319 C 1.46997571272047 -3.75857863773756 0.81577900869906 C 2.62786442972193 -4.59240918001319 0.38163683035026 Cl 4.22204680893377 -3.88768485075302 0.95077384953853 C 0.99077592868385 -2.72140496432960 0.00360008831675 C -0.08799567141242 -1.93924927063477 0.41289620987564 C -7.82022090317463 -5.29284735402708 5.25309354567217 C -7.08977332257947 -4.39392835150855 4.25311985887713 C -7.99203888747505 -4.00875977266416 3.04952955210986 C -9.19260204772145 -3.20190536597065 3.46110495250799 C -10.47742644107796 -3.76186898547031 3.49281453524508 C -11.57687593409666 -3.01566080671429 3.91438996419727 C -11.42078955830510 -1.68384439873759 4.31950791071959 C -12.59369819345223 -0.88571862467155 4.77941233835329 Cl -12.86096730214203 -1.05716764847803 6.58586086692218 C -10.13824851571436 -1.11790798003683 4.28785701552745 C -9.04222553256652 -1.86525271312513 3.86393826948587 C -0.73126165755464 -4.31367471653400 6.51878738088039 C -2.22786900276999 -4.14735027181306 6.24353809496297 C -3.11335202133892 -4.59860232446644 7.44630783710468 C -3.22135343811725 -6.08504429381497 7.62269780632970 C -2.27251858051611 -6.81800415635714 8.35292537817811 C -2.33591208759463 -8.20909067692987 8.41740301347791 C -3.36058310581234 -8.90831525012329 7.76463361227301 C -3.40712900512310 -10.39792124238181 7.79649397427997 Cl -2.57063391539951 -11.11933616673048 6.32947342077159 C -4.33513425126256 -8.17897821194422 7.07000654437161 C -4.26523538219970 -6.79017231514538 7.00191032201032 H -4.58181025356182 -2.12256009931575 -0.12213263726162 H -3.64264417864561 -0.61632020501422 -0.01300766587025 H -2.84693176891549 -2.11756937160731 -0.52433557613539 H -4.04716340650084 -1.42935041040126 2.22396304889104 H -1.86395135531668 -0.35077345499933 1.70233927793883 H -1.94887657045638 -1.33898367716448 3.17587933084523 H -0.71007494244896 -3.38988283140010 3.42041334335664 H 1.22616712333561 -4.77644079203569 2.70474816003352 H 2.71365079547496 -4.64810770615146 -0.70893366324634 H 2.59551845660470 -5.60173992513461 0.80608028088757 H 1.47442701013341 -2.52379912164320 -0.95601721267863 H -0.44473896412109 -1.13252583696492 -0.23151347088450 H -8.71591908724571 -4.78139812647713 5.63128747526056 H -8.14498429373254 -6.23956234462318 4.79629816337043 H -7.17134332604739 -5.52423962876606 6.10946485494712 H -6.82963357822550 -3.45621572020251 4.76375120455527 H -7.36650320867178 -3.42623565030949 2.35534196574292 H -8.32122038901850 -4.91699918942946 2.52029134723957 H -10.61577801238025 -4.79934750042319 3.17912546294204 H -12.57024481092153 -3.47036612955254 3.93182569648152 H -12.45740765674872 0.18810917541654 4.61222814832827 H -13.53026581093047 -1.22015028307288 4.32035236872182 H -10.00141558429803 -0.07951691697460 4.59895866486010 H -8.05022005630281 -1.40718892585288 3.84203096716264 H -0.45386225147488 -3.71715395057339 7.39943754087660 H -0.13668821429040 -3.95262690422338 5.66728978649433 H -0.44489646325063 -5.35547186275329 6.71791986740113 H -2.42470692446758 -3.07108547152450 6.13790858611293 H -4.11566028994861 -4.18026262950199 7.27202413578377 H -2.70855437736614 -4.12923261838354 8.35710264012583 H -1.47058705855233 -6.28963368669061 8.87307494456398 H -1.58037192431321 -8.76438972028586 8.97818209686621 H -4.43034571010018 -10.78669887818469 7.75718955960221 H -2.87935799437988 -10.81506290185766 8.66062965273242 H -5.14973481779352 -8.71038889986100 6.57130177634425 H -5.01833697650681 -6.23149251354669 6.44302751326076 N -4.45999770209777 -2.53844928044426 4.55632878539017 93 energy: -132.054801582863 gnorm: 0.023138727926 xtb: 6.5.1 (b24c23e) N -3.44199226150932 -3.40010815869889 2.02411272661446 C -3.04319243377161 -4.35700902739088 0.99942806129650 C -2.62175493706289 -5.68756935708198 1.62280517179914 N -3.53381756060059 -6.07050456786714 2.69425249133936 C -4.81951644252971 -6.58095038600197 2.23103640649935 C -5.90221687644241 -6.31570440037057 3.27787093068895 N -5.80800411675906 -4.95015670492953 3.77883328448769 Mo -4.06056868431452 -4.03704125490344 3.78092554186301 N -2.67665333770126 -4.76488465587277 4.97549856950236 C -2.01969309059730 -6.01968560349705 4.62990960186918 C -2.91253134309799 -6.88012867732734 3.73704600134624 H -1.78595569639631 -6.61020605211088 5.52724758946575 H -1.05889280981914 -5.82328486548159 4.11781065911096 H -3.71000586759037 -7.30010364438808 4.35814780257804 H -2.33113694239173 -7.72404664880041 3.32199129358287 H -6.87960821869302 -6.50569499041742 2.80820470815705 H -5.80523823987877 -7.04501896781155 4.10385317455651 H -5.08235852008013 -6.03899806466276 1.31471663901303 H -4.77856928727151 -7.65921923856567 1.98769762052353 H -2.18897711534078 -3.98434877485308 0.41493607941603 H -3.87156474722093 -4.52234717877849 0.28443844213986 H -1.62723798668040 -5.55862483674657 2.06184701738066 H -2.54575792035011 -6.46422530947366 0.83925845579727 C -3.59820306079535 -1.70406824167498 0.15868943689378 C -3.29979455070136 -1.99384794008199 1.63363077435472 C -1.92528345282935 -1.39804873146428 2.07227858789741 C -0.73076767783392 -2.18771818485505 1.63207341301747 C -0.23312530036412 -3.20508966095850 2.44707791808225 C 0.84715492281149 -3.97522095137080 2.04874569105129 C 1.46591054757820 -3.75238939230869 0.81934501701774 C 2.61776016417902 -4.59190867390985 0.38114548884126 Cl 4.19602787869243 -3.87729611642317 0.95577208630285 C 0.98783749605339 -2.72011199833017 0.01378555104200 C -0.09076666864932 -1.94947425130630 0.41564574222716 C -7.82073388202834 -5.29288442211845 5.24202106404860 C -7.08017291455452 -4.39511101067356 4.24531404077235 C -7.99647015558814 -4.00810911483199 3.05147758853809 C -9.19236455924346 -3.20225999217760 3.47410289524535 C -10.47090425029798 -3.75596110573019 3.50034068565192 C -11.56458403159919 -3.01391835719862 3.91610871298030 C -11.41247914880170 -1.68874011261838 4.31700764040415 C -12.58710257414806 -0.88864850486586 4.76900536615356 Cl -12.83946260397393 -1.07032764050248 6.56778835933686 C -10.13551099696067 -1.12895172341299 4.28706087585520 C -9.04517170078452 -1.87222858962126 3.86834785747992 C -0.73503529366158 -4.31905369495168 6.52416294822574 C -2.23070013208005 -4.15915508490129 6.23321483999376 C -3.11027869688889 -4.60908725677970 7.44172533485798 C -3.21064012189065 -6.09403437393072 7.60814870785260 C -2.27375079286225 -6.82242021770309 8.34151965585484 C -2.34033014273279 -8.20419548913551 8.40991453741339 C -3.35998151166868 -8.90129083680153 7.76384938078100 C -3.41165568620685 -10.39006571405349 7.80330483195733 Cl -2.57552507783684 -11.09144042432681 6.33785028689629 C -4.32428896444518 -8.17396766140817 7.06750614284924 C -4.24963942196117 -6.79347140872872 6.99300685787424 H -4.57006485560703 -2.12018431943048 -0.11374992364210 H -3.64026989652752 -0.62595820255690 -0.00228871079352 H -2.84384455365034 -2.11500124334368 -0.51284785071610 H -4.04680422977932 -1.45304614495856 2.23006219139497 H -1.86380507429409 -0.37153603803400 1.69451764777710 H -1.95024740618445 -1.35888965015265 3.16775068542498 H -0.71254688302595 -3.38431215017034 3.40634138861639 H 1.22114805825137 -4.76183410234725 2.69540752924676 H 2.70807598349435 -4.64207212809986 -0.70445175980951 H 2.58994421682460 -5.59520646540207 0.80790838652206 H 1.46615199173776 -2.52418592554803 -0.93892502079873 H -0.44116413019315 -1.14656892794451 -0.22231001625922 H -8.70430273998218 -4.77727950931302 5.61988613678511 H -8.14633720955037 -6.23154522424022 4.78993932589939 H -7.17597225154478 -5.52106622192047 6.09234021754034 H -6.81154318297046 -3.46382783480781 4.75925418380650 H -7.37208916079272 -3.42157675500453 2.36362550180121 H -8.33023838508440 -4.91159439336525 2.52874298026627 H -10.61233151652996 -4.78427788645014 3.18728167524463 H -12.55007247922956 -3.46549647883793 3.93087042244603 H -12.44979691993938 0.18135366967325 4.61014567907053 H -13.52137173175948 -1.22494690858221 4.31814109087289 H -9.99946377612309 -0.09842578898394 4.59403660188883 H -8.06069469835138 -1.41890647126367 3.84580008251124 H -0.46400053722733 -3.72018108207458 7.39460889889186 H -0.14685619822167 -3.95861650243287 5.67839872853241 H -0.45343574001048 -5.35303619029095 6.72401098319740 H -2.43109710951965 -3.08453061206800 6.12151544162776 H -4.10825193182355 -4.19182568161278 7.26079551807483 H -2.70335078903412 -4.14609722291892 8.34715756960855 H -1.48057504616789 -6.29877315338047 8.86180934724208 H -1.59219867881698 -8.75344345806392 8.96972423157209 H -4.42969277380932 -10.77787263002451 7.75810441018130 H -2.88076839239782 -10.80685049844274 8.65942847857119 H -5.13715000656167 -8.70102914678787 6.57976522885325 H -5.00139878429117 -6.23284605023142 6.44441702787573 N -4.45466838313222 -2.55337942539863 4.55210710389688 93 energy: -132.057000319146 gnorm: 0.009510193662 xtb: 6.5.1 (b24c23e) N -3.45246004012825 -3.41017655535249 2.03409637723125 C -3.04566388919725 -4.35487762241336 1.00766004554485 C -2.62790138624228 -5.68372381879251 1.63986744165626 N -3.54157327714158 -6.03698785298696 2.71401244785055 C -4.81072807517080 -6.56372213241805 2.23773768816104 C -5.90105952715516 -6.30302148196980 3.27920873114188 N -5.79759560530244 -4.93999845090843 3.77410248778843 Mo -4.05957102793140 -4.03614476291952 3.78521375815719 N -2.68189552357844 -4.76321364594034 4.96599240359424 C -2.02461841838415 -6.01583926669907 4.63320088832372 C -2.92287242432352 -6.86744013628193 3.73488131471550 H -1.79984904808762 -6.60838058559068 5.53009636889612 H -1.06195740407982 -5.82602416497692 4.12311927081979 H -3.71419212793532 -7.29479176527652 4.35657554521335 H -2.34358056875441 -7.70205066777006 3.30161241002574 H -6.87416392237955 -6.49059077294482 2.80350608009564 H -5.80598742389469 -7.03206295508343 4.10484605578790 H -5.07761693061745 -6.02879260022398 1.31994709796252 H -4.75371240557560 -7.64187474968472 2.00360777931233 H -2.18840447697256 -3.98164885537286 0.43073639142445 H -3.86953577762755 -4.52406303824253 0.28863662771684 H -1.63088019501927 -5.55550397416126 2.06977630951018 H -2.56758562391761 -6.46960585810454 0.86614395504612 C -3.60097849729550 -1.71481016271684 0.16901587007704 C -3.30959812217104 -2.01181316334888 1.64576648103215 C -1.93142022127126 -1.41568617507850 2.07575204745846 C -0.74089542841123 -2.20237551665869 1.62865453311089 C -0.24248860532945 -3.21566766752700 2.44204011616861 C 0.83778848090248 -3.98066169431467 2.04507073011414 C 1.45422585635493 -3.75575215504960 0.81827201713710 C 2.61145692526802 -4.58870161770015 0.38264334389751 Cl 4.17245135787109 -3.85882730942568 0.96625772826997 C 0.97760054565761 -2.72406573556787 0.01648731104459 C -0.10046502771774 -1.95794201727901 0.41729166477883 C -7.81244259900062 -5.29018046142864 5.23212331945368 C -7.06501342060630 -4.39015048963879 4.23944602350384 C -7.98943068745268 -4.00551668725327 3.04962501116342 C -9.18273801952413 -3.20415234014967 3.48292198188886 C -10.45806200033562 -3.75781904922012 3.50726755830439 C -11.55132158214245 -3.01668086192486 3.91562414629070 C -11.40161585630314 -1.69271327900830 4.31036553448130 C -12.57725786101146 -0.89361750051979 4.76154248809254 Cl -12.81411989452958 -1.08841298729801 6.55433355062252 C -10.12698358718476 -1.13509143925683 4.28674940538704 C -9.03702444554492 -1.87746309151581 3.87550917479949 C -0.74158352092736 -4.32316179650163 6.51972352792651 C -2.23675350359684 -4.16190874357055 6.21720395737942 C -3.11047597371047 -4.61501465520016 7.42975819158586 C -3.20344229260677 -6.09802067421990 7.59202337242364 C -2.27053269344467 -6.82231547301765 8.32850851930632 C -2.34141369456661 -8.20020522156953 8.40415838028709 C -3.36180014046313 -8.89559635740970 7.76427772675498 C -3.41527235299288 -10.38390225666726 7.80702420446658 Cl -2.57903728878893 -11.06498520661870 6.34111454949516 C -4.31958542507168 -8.17163185969919 7.06121435369452 C -4.23987227013579 -6.79496287011535 6.97799567009276 H -4.56863953622213 -2.12854504883234 -0.10857186127838 H -3.64201671844284 -0.63866393349648 0.02104792180671 H -2.84110756898038 -2.11835099482359 -0.49499462351720 H -4.05458425651841 -1.47384339638325 2.24619597313950 H -1.87373533424634 -0.39539106748000 1.69221183476115 H -1.95081734743949 -1.38097345392036 3.16892181716428 H -0.72275728187512 -3.39059452528708 3.39900491783282 H 1.21807530790753 -4.75900539901902 2.69162834274011 H 2.70214615219693 -4.63513653037504 -0.70069863202337 H 2.58492061679372 -5.58946913422119 0.80940131198323 H 1.46007262234231 -2.52075363102620 -0.92814942353602 H -0.44750084813425 -1.15583843632178 -0.21675375866219 H -8.68828730837390 -4.76584911311712 5.60571586440211 H -8.14339981929383 -6.21990780381103 4.77458323638358 H -7.17156964923889 -5.52315735162584 6.07992438819968 H -6.79174047680194 -3.46225551985860 4.75461134194817 H -7.37334889489387 -3.41424954005824 2.36132087439041 H -8.32951880949891 -4.90714108918643 2.53451994193412 H -10.60146381250893 -4.78273406142505 3.19764446284149 H -12.53304839669303 -3.46727977261633 3.92801186962222 H -12.43835484467651 0.17404587092196 4.60433989176059 H -13.50821703238899 -1.23202980002351 4.31103469896086 H -9.99233126369289 -0.10783216181155 4.59106115168968 H -8.05578853113010 -1.42709649428393 3.85567130729678 H -0.48351961456071 -3.72045185172305 7.38668156140141 H -0.14991875834066 -3.96675681509332 5.67915567191890 H -0.46760180275040 -5.35381421419548 6.72795659316761 H -2.44044172329008 -3.08863607963070 6.10326973840629 H -4.10795658957032 -4.20251700213250 7.24954381354188 H -2.69772612228782 -4.15807028009420 8.33084456856718 H -1.48069025302902 -6.30078624687536 8.84770608304726 H -1.59890026067100 -8.74584935817924 8.96746676188793 H -4.43220797990296 -10.76800573019354 7.76170292314612 H -2.88373807823558 -10.79689840638015 8.66162239590589 H -5.13123842022124 -8.69784448859087 6.57925701155466 H -4.98620080495688 -6.23268999893000 6.42865933359347 N -4.45170161487324 -2.55050990931353 4.56026872755533 93 energy: -132.057600433278 gnorm: 0.006446362415 xtb: 6.5.1 (b24c23e) N -3.46193193652190 -3.41583446588006 2.03628903184618 C -3.04565441838899 -4.35563486556657 1.01211598651829 C -2.62975161736747 -5.68276411843112 1.64934713892322 N -3.54429599393856 -6.02322345607228 2.72430545769186 C -4.80647247256525 -6.55510323122078 2.24095146826566 C -5.90123217504274 -6.29595919267615 3.27794458845880 N -5.79273801012750 -4.93598862035776 3.77438262328996 Mo -4.05624523641905 -4.04402822363975 3.78436170473627 N -2.67854841956821 -4.76253286868224 4.96107918693237 C -2.02665798139453 -6.01798132733968 4.63669296507759 C -2.92753548756593 -6.86391771646276 3.73499988234352 H -1.81053554077792 -6.60873070550446 5.53624945120830 H -1.06006370575601 -5.83547665820406 4.13165810329869 H -3.71582247663373 -7.29535936344088 4.35716370304266 H -2.35304856107195 -7.69315997793481 3.28745922961524 H -6.87278011672549 -6.47697838800422 2.79809612844666 H -5.81252757656008 -7.02602371529247 4.10292507364683 H -5.07458080111255 -6.02244999049421 1.32267743447806 H -4.73701822835856 -7.63208504711846 2.00982016471456 H -2.18597400779121 -3.97793201625720 0.44303943598726 H -3.86350166161449 -4.52652780612581 0.28677401899870 H -1.63116976780128 -5.55404969485966 2.07452888257167 H -2.57845757218666 -6.47735935498235 0.88528551740100 C -3.61062115172449 -1.71893237468861 0.17821618508692 C -3.32173439263412 -2.01975308415283 1.65531697773796 C -1.94111432949735 -1.42679034888028 2.08358739273723 C -0.75464353132862 -2.21431273430727 1.62998539883885 C -0.25540066045334 -3.22900312213847 2.44165794252159 C 0.82707339585106 -3.99039641700988 2.04417746403876 C 1.44252989446826 -3.76018085143876 0.81791754709235 C 2.60774207761847 -4.58430397927781 0.38503430786410 Cl 4.15488150831038 -3.84049503259319 0.97745776957761 C 0.96589503121122 -2.72718612034623 0.01799973733772 C -0.11435874720730 -1.96410505011775 0.41952313778136 C -7.80679980856225 -5.28367755452293 5.22805003192150 C -7.05482607217304 -4.38285828393213 4.23826805194382 C -7.97810770747707 -4.00171395170438 3.04661263092527 C -9.17062657041694 -3.20366427523625 3.48324097185149 C -10.44417059242854 -3.76101653629531 3.50803235028429 C -11.53889387779249 -3.02053064458728 3.91360432151064 C -11.39010494762602 -1.69548204267938 4.30466883360409 C -12.56696386311498 -0.89866208298801 4.75768237811840 Cl -12.79553456817631 -1.10260010705067 6.54652200195080 C -10.11620073207896 -1.13646586626586 4.28685617342176 C -9.02462574658462 -1.87828714986960 3.87907213492675 C -0.74331567239287 -4.32113342464946 6.51655323148390 C -2.23782945763892 -4.15805183834710 6.20799707457491 C -3.11179152159374 -4.61402770832411 7.41992215857114 C -3.20091465922989 -6.09652586483538 7.57987559774659 C -2.26888258117587 -6.81832470757392 8.32017122077224 C -2.34272555670085 -8.19593795772211 8.40156078660000 C -3.36476877216755 -8.89068064216147 7.76412449672364 C -3.41804098532259 -10.37944798432786 7.80776992389236 Cl -2.58250403126514 -11.05175642715573 6.34291488340830 C -4.31891995641202 -8.16981199365113 7.05311130920674 C -4.23574448292759 -6.79381445971117 6.96315962907170 H -4.57453201434979 -2.13639479236677 -0.10545113951759 H -3.65349873354837 -0.64224231703649 0.03816621431820 H -2.84380082346886 -2.11746506262366 -0.48038863080542 H -4.06448813492647 -1.48292778762249 2.25889182768208 H -1.88482395371349 -0.40778631152158 1.69952563528376 H -1.95596714774464 -1.39695794711527 3.17643958532546 H -0.73661907735963 -3.40353786801148 3.39786017361319 H 1.21138800262717 -4.76740443486867 2.68951895026452 H 2.70041540877757 -4.62800207042467 -0.69812699911703 H 2.58444565384252 -5.58567810843476 0.81021717200550 H 1.45094798653729 -2.51875616036488 -0.92403159389273 H -0.46058920706370 -1.16021029072937 -0.21229440408190 H -8.67812879574369 -4.75263619474842 5.60159982175920 H -8.14361454271471 -6.20703409771697 4.76253949129369 H -7.16668310457617 -5.52574317547753 6.07357719982190 H -6.78107592787416 -3.45523085928050 4.75283950692986 H -7.36706090286522 -3.40893867145343 2.35624013386130 H -8.31958191224461 -4.90443266682711 2.53611355221981 H -10.58672861972435 -4.78740451098818 3.20373476704256 H -12.51982162460346 -3.47225284924201 3.92536705183505 H -12.42814880990393 0.16888198710568 4.60078196150541 H -13.49619425258516 -1.23824954403267 4.30487487434906 H -9.98291666634084 -0.10943950281186 4.59167185485706 H -8.04263348153326 -1.42990657116905 3.86538906063000 H -0.49261821715527 -3.71359028204634 7.38182230363183 H -0.14620563280199 -3.97254779178079 5.67692185379484 H -0.47724309970118 -5.35193487115641 6.73315327630699 H -2.44288742375687 -3.08545362062539 6.09343206135745 H -4.11012665401464 -4.20490906656430 7.24022004021346 H -2.69688978817289 -4.15948045272258 8.31994718070298 H -1.47749380464483 -6.29684053291551 8.83646706737682 H -1.60219772773396 -8.74055719733159 8.96812962858869 H -4.43557043233968 -10.76185352260527 7.76416744684533 H -2.88693233467748 -10.79008065634302 8.66362780744684 H -5.12965889827156 -8.69760192572202 6.57196763590453 H -4.97636679983211 -6.23066066068552 6.40742987097728 N -4.44387367186335 -2.56093318864806 4.56102452905237 93 energy: -132.057918717192 gnorm: 0.003271859097 xtb: 6.5.1 (b24c23e) N -3.47345308252390 -3.42273229613984 2.03606877809166 C -3.04522409116499 -4.35833650648290 1.01349926955624 C -2.62950648504180 -5.68272863854326 1.65537166795267 N -3.54471108118714 -6.01700928727763 2.73131900249291 C -4.80382234582892 -6.55093814580391 2.24276540461567 C -5.90131559578606 -6.29403415079638 3.27606920241414 N -5.78621313991045 -4.93693871541579 3.77746349879294 Mo -4.05374987942462 -4.04592315329440 3.78739587448824 N -2.67079810263619 -4.76338467145302 4.95481030815615 C -2.02503522079615 -6.02426874669076 4.63985289975326 C -2.92881777337863 -6.86467891529006 3.73627481398390 H -1.81887656941095 -6.61245514949071 5.54347309905759 H -1.05326836548750 -5.85153445453367 4.14078681251658 H -3.71591850582172 -7.29859639082731 4.35835336420617 H -2.35909039636599 -7.69107755306088 3.27915960287925 H -6.87196144530740 -6.46653633314426 2.79120467154250 H -5.82118153547958 -7.02787645869958 4.09862083840265 H -5.07139852149416 -6.01787727359644 1.32460308467165 H -4.72678612434127 -7.62651915190391 2.01117017543243 H -2.18244828115908 -3.97503772671471 0.45296659478653 H -3.85538949864519 -4.53158090761804 0.27986139127286 H -1.63018701568582 -5.55271200668419 2.07852051863389 H -2.58200780870187 -6.48381673486421 0.89885047773404 C -3.62423676637107 -1.71974350506911 0.18714405723715 C -3.33563810780063 -2.02688712153246 1.66314642913074 C -1.95417439643499 -1.43649376139712 2.09342774794269 C -0.76964211422522 -2.22394959958610 1.63546624634932 C -0.27093474195150 -3.24311141413342 2.44361750090137 C 0.81261123658640 -4.00236941931606 2.04365228618915 C 1.42858065664856 -3.76489431753568 0.81846391369632 C 2.60370079238202 -4.57801339607473 0.38859642778234 Cl 4.13765307799445 -3.82014116213444 0.99057656512811 C 0.95061060406475 -2.73062102624935 0.02049700386480 C -0.13093272307071 -1.96943834420511 0.42450727492096 C -7.80296937839180 -5.27492859032896 5.22598608586422 C -7.04441469474738 -4.37799179391072 4.23723479555980 C -7.96344543837335 -3.99714894460095 3.04303665050582 C -9.15603223135506 -3.20126419832811 3.47947532634549 C -10.42792052914466 -3.76278240495647 3.50474356836763 C -11.52419509763340 -3.02381731580964 3.91026158988760 C -11.37613774940393 -1.69799807321978 4.30004117936488 C -12.55469759232169 -0.90418919153451 4.75557293216835 Cl -12.78053228986875 -1.11521095081026 6.54097532493829 C -10.10293444404111 -1.13650617774723 4.28707250853924 C -9.00964096817357 -1.87699704597953 3.88013756514623 C -0.74185349007584 -4.31727598322468 6.51490335118594 C -2.23532561975020 -4.15517094603069 6.19961752386812 C -3.11228160302271 -4.60988628126902 7.41024069500601 C -3.20134473904297 -6.09205840049139 7.57057312478607 C -2.27027193655359 -6.81225733470291 8.31456750310425 C -2.34558367574889 -8.19025846860013 8.39937355582367 C -3.36796552364887 -8.88476198371912 7.76185655223542 C -3.42135901622410 -10.37436056180958 7.80706353031322 Cl -2.58733351146570 -11.04531296912039 6.34476695271608 C -4.31885669042495 -8.16638460424132 7.04314369671204 C -4.23403329160437 -6.79037577180921 6.94944867337979 H -4.58418648210606 -2.14351311588948 -0.10162178725010 H -3.67359239884532 -0.64234669820479 0.05246337714601 H -2.85179098117541 -2.11143107770778 -0.46969171962659 H -4.07711458934307 -1.49247664688243 2.26996506880278 H -1.89750664869193 -0.41590379896838 1.71366495074303 H -1.96798754610686 -1.41279679581658 3.18649667862278 H -0.75430584015194 -3.42073023949279 3.39848675356650 H 1.19875882906938 -4.78168865537886 2.68602657258024 H 2.70064712473159 -4.61886645850977 -0.69479710553960 H 2.58646322213588 -5.58128844815420 0.81087678565405 H 1.43679525035018 -2.51800518016039 -0.92069710854948 H -0.47838728411926 -1.16386268444076 -0.20547996850250 H -8.66880600470155 -4.73722916446618 5.60376291347434 H -8.14889610642142 -6.19260112128541 4.75472114584250 H -7.16255996633848 -5.52803891183260 6.06850232014424 H -6.77001643312055 -3.45006274822895 4.75057232063137 H -7.35305265413870 -3.40464342453508 2.35231306651463 H -8.30377007770881 -4.90084074375064 2.53350978428272 H -10.56808232293111 -4.79097693134916 3.20332896276301 H -12.50479074426259 -3.47752290262101 3.92287381476296 H -12.41731197844941 0.16414049931531 4.59962327572962 H -13.48279519076982 -1.24413917566929 4.29957650129765 H -9.97120056220934 -0.10951207170930 4.59482234910621 H -8.02630091592752 -1.42983731666677 3.87164958936405 H -0.49408972699396 -3.70284667034944 7.37662601985901 H -0.13979708392547 -3.97830397513017 5.67444553842541 H -0.48104282363260 -5.34786755552457 6.74104226413137 H -2.44122306397409 -3.08329215777995 6.08297596457119 H -4.11055938571627 -4.20169764734033 7.22822621269209 H -2.69878049942280 -4.15516243098263 8.31088786313631 H -1.47734319479215 -6.29008456710964 8.82901219569245 H -1.60642655401018 -8.73457034498765 8.96918460645840 H -4.43989896277312 -10.75593560145318 7.76601374974505 H -2.89120930355272 -10.78325068064300 8.66504371492157 H -5.12753971090942 -8.69632854421627 6.55960886355585 H -4.96870609903599 -6.22658303213213 6.38548397317990 N -4.43726243125503 -2.56593355214022 4.56500900167697 93 energy: -132.058131723245 gnorm: 0.003839296132 xtb: 6.5.1 (b24c23e) N -3.48513814188372 -3.42899540038357 2.03363735352062 C -3.04501517640023 -4.36182966984176 1.01315118639852 C -2.62752839153088 -5.68414348417218 1.65753762625837 N -3.54252333576217 -6.01890065715548 2.73414522846995 C -4.80191585529104 -6.55179474731575 2.24344134952201 C -5.90086250608472 -6.29611461695820 3.27444363129452 N -5.78056802649256 -4.94197205032068 3.78318227111244 Mo -4.04945804649832 -4.05292651653930 3.78854378654726 N -2.65973515740430 -4.76545009124260 4.94987065124518 C -2.02109887547139 -6.03242737371119 4.64248229939729 C -2.92654834265026 -6.86927280825950 3.73743600091329 H -1.82388586165577 -6.61752903114257 5.55020078661552 H -1.04468370292511 -5.86918895361292 4.14902861218770 H -3.71410661135982 -7.30394259905447 4.35863425006148 H -2.35993215919933 -7.69503476182757 3.27638349909896 H -6.87107945909008 -6.46007408852154 2.78542269380814 H -5.82903236613549 -7.03483532764891 4.09349141700594 H -5.06757539327075 -6.01643178890590 1.32597467127767 H -4.72274014299255 -7.62622839716324 2.00911268446305 H -2.18017402601246 -3.97238085683741 0.45994747633286 H -3.84788341355731 -4.53756529899438 0.27206224583606 H -1.62853430683863 -5.55207783008697 2.08107748594334 H -2.57895782832930 -6.48819085848079 0.90481284613987 C -3.64011767948773 -1.71894679734565 0.19408491944419 C -3.35034045818746 -2.03180457278477 1.66833424779290 C -1.96918142416274 -1.44457925863601 2.10426237241008 C -0.78517106636990 -2.23129049369179 1.64348141090762 C -0.28758918137489 -3.25564317069276 2.44706850324293 C 0.79616013078052 -4.01336116733622 2.04379901670307 C 1.41389820391095 -3.76819743827028 0.82055596911335 C 2.59808737410616 -4.57055995174048 0.39315332976384 Cl 4.12013900710319 -3.79939782703248 1.00494487910557 C 0.93387047173616 -2.73289226311324 0.02491720540689 C -0.14843362057843 -1.97359318805541 0.43190806222509 C -7.80142135234400 -5.26673556695241 5.22593881758890 C -7.03587534595043 -4.37523267516515 4.23783028429473 C -7.94699553665559 -3.99199088517072 3.03908859737935 C -9.14016436566710 -3.19730498206752 3.47344066060852 C -10.41063817406358 -3.76208525767782 3.49808691414324 C -11.50805096358847 -3.02558232215718 3.90577288605310 C -11.36087869965836 -1.70008483485713 4.29748350447498 C -12.54132565586074 -0.90948717493881 4.75520588195526 Cl -12.76843681348571 -1.12655293065693 6.53802120509981 C -10.08860560837955 -1.13590996463472 4.28727179120561 C -8.99403495260375 -1.87409656918164 3.87873051290145 C -0.73653568766934 -4.31425789217529 6.51421639173026 C -2.22869842420599 -4.15283193184653 6.19362203733790 C -3.11179045341056 -4.60368522519637 7.40137904439609 C -3.20363337682052 -6.08555339027684 7.56406666605121 C -2.27477280776899 -6.80505724231895 8.31194439192432 C -2.35049488394783 -8.18339256589690 8.39789731236718 C -3.37121341245339 -8.87790568829643 7.75760518139111 C -3.42553901445931 -10.36818178155084 7.80517419574090 Cl -2.59333334450866 -11.04327083946271 6.34601010721752 C -4.31886181440722 -8.16081961732038 7.03270078755129 C -4.23369977333349 -6.78471057711712 6.93806733353003 H -4.59641679383144 -2.14978010731730 -0.09783072680765 H -3.69873507355828 -0.64111246143585 0.06401191086295 H -2.86385542248220 -2.10201297958483 -0.46401727010264 H -4.09201616157321 -1.50120994291899 2.27809422463802 H -1.91086385774620 -0.42109553792739 1.73155467344640 H -1.98536142215067 -1.42783989763203 3.19782999324778 H -0.77309267813582 -3.43816913754704 3.40042213874494 H 1.18152210777844 -4.79742841477648 2.68171444081325 H 2.70030923701358 -4.60805038868796 -0.69035231461686 H 2.58805714703847 -5.57592992780656 0.81194598168364 H 1.41926966958801 -2.51747827372008 -0.91653278406416 H -0.49801555929029 -1.16671721281136 -0.19603682622752 H -8.66005766180939 -4.72133225906406 5.61004622014485 H -8.15924346205760 -6.17889738282610 4.75157870958724 H -7.16029120178603 -5.53112934652184 6.06495324530723 H -6.75924180987699 -3.44736526486003 4.75024500695450 H -7.33284275283682 -3.39978565461338 2.35123937820176 H -8.28515442257914 -4.89509252108285 2.52636482240879 H -10.54775514205681 -4.79084943355415 3.19563759402692 H -12.48823460832670 -3.48119399555440 3.91924187827168 H -12.40574540716588 0.15982480673067 4.60113551076402 H -13.46827108136600 -1.24925244240287 4.29555646648456 H -9.95855526408405 -0.10936048626312 4.59897781189110 H -8.01002460433659 -1.42713264638706 3.87296091496788 H -0.48913799836152 -3.69180136116226 7.37071807997302 H -0.13109226890913 -3.98494757192513 5.67183917391636 H -0.47854410092538 -5.34374502428907 6.75048426453659 H -2.43429637638381 -3.08147676559021 6.07308087794023 H -4.10887610987591 -4.19407605708823 7.21408249430949 H -2.70195091436031 -4.14721898236346 8.30327205152814 H -1.48228140145345 -6.28205297709088 8.82723310666056 H -1.61274864655477 -8.72763849187171 8.97047535807897 H -4.44515259274446 -10.74875685549657 7.76685710496526 H -2.89669211368732 -10.77530483076691 8.66549255919488 H -5.12446710226770 -8.69243590199924 6.54469985193781 H -4.96385074066964 -6.22047618340789 6.36767485292333 N -4.42999957757249 -2.57459983658688 4.56742274890010 93 energy: -132.058316590003 gnorm: 0.004270723523 xtb: 6.5.1 (b24c23e) N -3.49730724649333 -3.43696521955863 2.03091128621194 C -3.04637603155109 -4.36656024551136 1.01146855658081 C -2.62463556917902 -5.68705720958884 1.65692593696262 N -3.53847455305318 -6.02584362037248 2.73437117639850 C -4.79969569117768 -6.55681422411932 2.24364074398364 C -5.89901753653450 -6.30216966896616 3.27402292492382 N -5.77381953620763 -4.95079188529087 3.79029099475176 Mo -4.04460212414257 -4.06027965139584 3.79085264729986 N -2.64699465733051 -4.76958160387240 4.94464481434769 C -2.01457536526271 -6.04193525443807 4.64371559437591 C -2.92132416153509 -6.87663940396110 3.73775528316181 H -1.82474684983780 -6.62419914085640 5.55489689460835 H -1.03467323655831 -5.88706535115621 4.15461940308024 H -3.71011714820221 -7.31111487208673 4.35781405221384 H -2.35568127674923 -7.70296747067640 3.27666186676311 H -6.86911685135684 -6.45854756817094 2.78201416642420 H -5.83369508807364 -7.04602216120478 4.08903609868547 H -5.06326072327766 -6.01840075833112 1.32718372622393 H -4.72223110200684 -7.63069327976268 2.00592505356389 H -2.18090630717819 -3.97080638487676 0.46364208354981 H -3.84331650733213 -4.54554174910196 0.26498120239909 H -1.62656663596837 -5.55190733829487 2.08202313840905 H -2.57195061666724 -6.49115919080299 0.90452823788951 C -3.65770430968250 -1.71857504447926 0.19986847340080 C -3.36623189029660 -2.03765942939155 1.67185772492233 C -1.98722027626828 -1.45193583677916 2.11575958331910 C -0.80257682706046 -2.23683526411097 1.65341735299260 C -0.30609204571332 -3.26598615793239 2.45205258116935 C 0.77756788616353 -4.02212241993210 2.04526307065447 C 1.39768267814648 -3.76944455056543 0.82458812983377 C 2.58941920282409 -4.56177872767423 0.39900808415180 Cl 4.10081123195180 -3.77850868858662 1.02078946103532 C 0.91544358565045 -2.73300820810989 0.03179602113884 C -0.16751163563899 -1.97610325593921 0.44169031679304 C -7.80171690572473 -5.26018607570514 5.22609497080110 C -7.02732728141553 -4.37579701736108 4.23900600748159 C -7.92797374701893 -3.98593175916972 3.03496644495953 C -9.12223320390924 -3.19174120161620 3.46568657272496 C -10.39160345543562 -3.75876929509865 3.48817717738017 C -11.48980229641334 -3.02561224374506 3.89959932873675 C -11.34385557357178 -1.70149740161152 4.29637124976179 C -12.52615720365702 -0.91451741394798 4.75636883561139 Cl -12.75687146411476 -1.13848459180648 6.53737256935617 C -10.07269279253925 -1.13469089328622 4.28731658953384 C -8.97719589703236 -1.86966069508261 3.87534559073600 C -0.72798898491814 -4.31431450433051 6.51360074270818 C -2.21844874886848 -4.15276594651384 6.18775632924143 C -3.10957349603870 -4.59555103824126 7.39249405851783 C -3.20664737181294 -6.07679124544997 7.55908875075897 C -2.28191599482491 -6.79636286142750 8.31193752084854 C -2.35798331250785 -8.17479574211647 8.39769120826880 C -3.37526388275088 -8.86933456532296 7.75205174978448 C -3.43148979518968 -10.35989200917385 7.80245650544832 Cl -2.60122478848442 -11.04247251029176 6.34627009344683 C -4.31899033090406 -8.15229063804337 7.02174932302253 C -4.23383448032556 -6.77610652477563 6.92794203073805 H -4.61043595233585 -2.15660959636351 -0.09399986062837 H -3.72721488394361 -0.64053706455404 0.07467858305390 H -2.87887408565391 -2.09139070652991 -0.46135769487344 H -4.10978105460550 -1.51244367954162 2.28394062961301 H -1.92679296916128 -0.42495446897316 1.75179486756445 H -2.00862737191142 -1.44347911916948 3.20979586852210 H -0.79307123136088 -3.45413598005016 3.40396757692894 H 1.16075715103280 -4.81178408072554 2.67808906736766 H 2.69735750326072 -4.59504054915571 -0.68430987306784 H 2.58695502040989 -5.56894853760421 0.81413924759908 H 1.39921293591017 -2.51509598399920 -0.91005707628018 H -0.51949061471864 -1.16813470224818 -0.18377755135727 H -8.65139302738484 -4.70557823279815 5.61747531488770 H -8.17376968073833 -6.16618937872657 4.75030613755501 H -7.16021188076766 -5.53640720490988 6.06128103783121 H -6.74656282742606 -3.44903913712207 4.75142402329661 H -7.30599779386032 -3.39291993380077 2.35431557599904 H -8.26342712910732 -4.88622366476734 2.51480166230604 H -10.52552676939817 -4.78677821730852 3.18129237789716 H -12.46939302819024 -3.48282016813151 3.91290489410611 H -12.39230011226477 0.15581119937693 4.60600262869142 H -13.45179554877655 -1.25365942815379 4.29296236454800 H -9.94443616611981 -0.10901860143120 4.60326887696868 H -7.99337887298151 -1.42190290647736 3.87040856288129 H -0.47954165144052 -3.68302567431881 7.36362667341496 H -0.12010709734502 -3.99504673946151 5.66878330259702 H -0.47190051959471 -5.34188995679909 6.76081761472470 H -2.42174276662240 -3.08168805985320 6.06131859864780 H -4.10417403320573 -4.18275885885887 7.19669022898372 H -2.70471635027177 -4.13627583165915 8.29572347080306 H -1.49196278509434 -6.27274362833461 8.83088385186553 H -1.62257006932584 -8.71910070237871 8.97348009667975 H -4.45209436406527 -10.73891515366295 7.76635495878500 H -2.90387612638554 -10.76526470491009 8.66474439802061 H -5.12110400391312 -8.68469416452752 6.52829013593542 H -4.96067571210746 -6.21150660580738 6.35318793987319 N -4.42340990747829 -2.58244776624471 4.57154915617381 93 energy: -132.058468961067 gnorm: 0.003240303961 xtb: 6.5.1 (b24c23e) N -3.50736286384684 -3.44507926490508 2.02886599128612 C -3.05022335528684 -4.37170787193827 1.00936269752968 C -2.62238791936370 -5.69121181995376 1.65399444997484 N -3.53371066738132 -6.03595456993481 2.73241134180371 C -4.79724494186655 -6.56517364623257 2.24417044337809 C -5.89578293926030 -6.31070241829118 3.27595646631094 N -5.76766403129071 -4.96126800823767 3.79709594427096 Mo -4.03946621737987 -4.06969721239989 3.79245021774249 N -2.63548215301258 -4.77525976451956 4.94050954294104 C -2.00684093796523 -6.05035519695447 4.64274568110702 C -2.91421568357133 -6.88502488468464 3.73656473977035 H -1.82044162625941 -6.63102879328890 5.55552761456916 H -1.02577295856896 -5.90004189931404 4.15524379509122 H -3.70367947179826 -7.31921496336702 4.35608612012503 H -2.34747152718017 -7.71214386217344 3.27753848065292 H -6.86620631226536 -6.46283254325089 2.78349826208913 H -5.83274546011220 -7.05783562336892 4.08797295020990 H -5.06014222035436 -6.02479095730884 1.32862392928513 H -4.72329499872150 -7.63917238640666 2.00421904243750 H -2.18630952221218 -3.97095174822112 0.46296644294462 H -3.84479326569388 -4.55409578418764 0.26166072446838 H -1.62518122773835 -5.55246746937035 2.08008522214252 H -2.56488645501435 -6.49331471812137 0.89930278936306 C -3.67356473232998 -1.72017564438317 0.20347113598852 C -3.38145201599332 -2.04351672693549 1.67379630069240 C -2.00579962209173 -1.45728843180176 2.12574400310822 C -0.81924642409538 -2.23908927401046 1.66324236835339 C -0.32311953314289 -3.27104325889133 2.45805271030682 C 0.76048155166407 -4.02567945283975 2.04852053756025 C 1.38243941785833 -3.76760511565691 0.83010463956318 C 2.57854505479292 -4.55293194181661 0.40540672769847 Cl 4.08312990320572 -3.76218318757202 1.03499450995661 C 0.89864011961866 -2.72989557358635 0.04006127539476 C -0.18493697263680 -1.97549441962033 0.45197082726245 C -7.80381324660211 -5.25793358235189 5.22496091917637 C -7.02011936005603 -4.37910935807631 4.24085673193912 C -7.90930122214272 -3.97969157616571 3.03144739529078 C -9.10488676955364 -3.18561661746632 3.45823768606963 C -10.37377372291928 -3.75353094374611 3.47707176686571 C -11.47248542787150 -3.02359791586778 3.89192707906540 C -11.32792613939464 -1.70146515618879 4.29559015940305 C -12.51140020133762 -0.91813612389858 4.75853078654651 Cl -12.74558660948938 -1.15037797551693 6.53870534144465 C -10.05770389233690 -1.13274378443118 4.28677970020215 C -8.96154915586813 -1.86453110474857 3.87128424120620 C -0.71775645818433 -4.31929738502895 6.51251203684152 C -2.20639441907577 -4.15446528957987 6.18247047235737 C -3.10551143075423 -4.58692773241523 7.38473912595581 C -3.20908578168338 -6.06719955331768 7.55594540678193 C -2.28979237322097 -6.78754020057515 8.31435342827717 C -2.36693463025751 -8.16578141703129 8.39938812509389 C -3.38021856213925 -8.86004122656471 7.74725475340292 C -3.43905969938876 -10.35031916209988 7.79989164106129 Cl -2.61047800776921 -11.04005046720346 6.34518393606197 C -4.31977639376842 -8.14180482424996 7.01288953676790 C -4.23394313611560 -6.76563386937882 6.92038733332649 H -4.62321437514474 -2.16382855427113 -0.09209303542218 H -3.75218642767613 -0.64225855450456 0.08286407939853 H -2.89282139255443 -2.08373646765452 -0.46044741483012 H -4.12844964492031 -1.52410188505914 2.28669693767089 H -1.94436017924359 -0.42761653241988 1.76922783768543 H -2.03316787824586 -1.45626491522248 3.21994710141065 H -0.81039261316248 -3.46370955537014 3.40903108767441 H 1.14193945825030 -4.81915438054062 2.67758175053620 H 2.69090959986344 -4.58200169859701 -0.67745110103868 H 2.58151574528740 -5.56111487821108 0.81757801074744 H 1.38143869965253 -2.50925048193875 -0.90148942455708 H -0.53874185251305 -1.16670312483115 -0.17111618791432 H -8.64480458625492 -4.69441164366372 5.62197928380915 H -8.18895385531967 -6.15748028849594 4.74762939443873 H -7.16347976939843 -5.54526040306303 6.05728270341704 H -6.73455679050893 -3.45475930089783 4.75514428755240 H -7.27770517930285 -3.38415733660977 2.36128440892383 H -8.24201196340237 -4.87538023853064 2.50120775515248 H -10.50546544104402 -4.77987083543317 3.16417060114462 H -12.45144267080538 -3.48180817274719 3.90359597071313 H -12.37869748713014 0.15308643974714 4.61391227039524 H -13.43606070154613 -1.25610431277027 4.29247165226317 H -9.93086147745536 -0.10822069894464 4.60652116546237 H -7.97854657069314 -1.41534804207894 3.86646148491947 H -0.46768240066891 -3.68092813612269 7.35669708526023 H -0.10767047846721 -4.00907860290950 5.66586338719444 H -0.46445176747521 -5.34510117469497 6.76928504776584 H -2.40482805204741 -3.08316257698989 6.04956111240447 H -4.09692522143127 -4.17017608596448 7.17977632508638 H -2.70477894759862 -4.12477126678619 8.28851404362874 H -1.50342509787010 -6.26396144638994 8.83855129683207 H -1.63504807270912 -8.71033052911025 8.97916179462429 H -4.46031919605558 -10.72748530834014 7.76464871046385 H -2.91203409535896 -10.75476917685354 8.66288066090720 H -5.11905698742235 -8.67371995836200 6.51448041149772 H -4.95842774262312 -6.20067101057298 6.34304789743116 N -4.41790993778123 -2.59159016534257 4.57507407883739 93 energy: -132.058617586065 gnorm: 0.002386760515 xtb: 6.5.1 (b24c23e) N -3.51619343502694 -3.45406818514730 2.02797204472843 C -3.05738841587990 -4.37765488615972 1.00697451729959 C -2.62191706203973 -5.69647166747722 1.64961479486883 N -3.52914128324034 -6.04727139828224 2.72966600947247 C -4.79459686515248 -6.57625980689454 2.24595863916362 C -5.89114025332902 -6.32144311955591 3.28098942003939 N -5.76130188047615 -4.97294902670457 3.80355006680306 Mo -4.03452896702937 -4.07944839195588 3.79450271743731 N -2.62505949125456 -4.78245580651168 4.93643410835457 C -1.99767823947532 -6.05783202047099 4.63912123137973 C -2.90573798121350 -6.89382355069355 3.73369234447948 H -1.81111036859134 -6.63840843506291 5.55183855918971 H -1.01728601324465 -5.90870406343735 4.15050694649250 H -3.69431491112042 -7.32855692932139 4.35390489216178 H -2.33682033746979 -7.72110494017384 3.27650310739071 H -6.86246945836033 -6.47262987026182 2.79047018821864 H -5.82630636403562 -7.06983585443352 4.09146810487331 H -5.05918078842733 -6.03586780574494 1.33098136906752 H -4.72388815306108 -7.65085687235284 2.00573857911677 H -2.19677875515791 -3.97328835927233 0.45829716769219 H -3.85306123859197 -4.56366349589111 0.26171198080882 H -1.62495497834401 -5.55368599689809 2.07487672889918 H -2.56058271935871 -6.49587895571377 0.89164104946125 C -3.68788112790339 -1.72440780048928 0.20553461629266 C -3.39685771209262 -2.05051073084682 1.67503149010262 C -2.02586899746175 -1.46074557718132 2.13446098769550 C -0.83641594653387 -2.23835918482131 1.67277680475272 C -0.33961292036639 -3.27107995587440 2.46525409238575 C 0.74477393373272 -4.02366819500388 2.05420483586005 C 1.36781449917115 -3.76201216151647 0.83748100546573 C 2.56544150457614 -4.54350035442747 0.41260673034916 Cl 4.06695374394132 -3.75020971555249 1.04795534665516 C 0.88315911358737 -2.72283204290375 0.04992512795213 C -0.20164129551982 -1.97139192995750 0.46266541251969 C -7.80760415978917 -5.26021101615715 5.22106166293978 C -7.01309168690823 -4.38485279072594 4.24300440956439 C -7.89007831987151 -3.97301576785485 3.02853568598901 C -9.08718903669101 -3.17903248612268 3.45125150248773 C -10.35611390873938 -3.74689383855139 3.46502002112414 C -11.45532050052782 -3.01985862453098 3.88245304244203 C -11.31221656558433 -1.70000959766841 4.29405835682877 C -12.49616387368004 -0.92054244142694 4.76113842729965 Cl -12.73212022383566 -1.16376721560234 6.54106593562096 C -10.04266291050290 -1.13006368643248 4.28587297572213 C -8.94586920245876 -1.85895808260815 3.86747758136266 C -0.70612786076476 -4.32996897316747 6.51055462298134 C -2.19273985626607 -4.15799151247675 6.17642153103921 C -3.09921296859475 -4.57758047538596 7.37736989508383 C -3.21034617676920 -6.05652023154076 7.55359663301317 C -2.29789009115855 -6.77817876138211 8.31866101581951 C -2.37770793691966 -8.15598384750602 8.40357125065820 C -3.38703762014515 -8.84933473476569 7.74431337943360 C -3.44895037571108 -10.33894483971672 7.79782224657206 Cl -2.62164986331450 -11.03340497634541 6.34280061864153 C -4.32160089613354 -8.12903204246782 7.00585877673271 C -4.23341767140673 -6.75300096966787 6.91386160290242 H -4.63453739233542 -2.17241230610112 -0.09258765717603 H -3.77343231468333 -0.64679155187526 0.08901181006311 H -2.90481844890450 -2.08023721119126 -0.45932044773146 H -4.14855522789391 -1.53702425162239 2.28723774952596 H -1.96522096442375 -0.42933007784454 1.78341847750025 H -2.05888637272249 -1.46590361743998 3.22848652679536 H -0.82619252438127 -3.46678247377354 3.41584889756001 H 1.12569222575034 -4.81878248103249 2.68113280738202 H 2.68070133770270 -4.56853714163055 -0.66971794749491 H 2.57108869309265 -5.55228805873280 0.82221613147477 H 1.36593614949060 -2.49916604198605 -0.89062346876312 H -0.55651614323886 -1.16179947165318 -0.15825114881491 H -8.64080581274893 -4.68849020889389 5.62176947959289 H -8.20409888015809 -6.15233001817001 4.73998271904255 H -7.17072509607952 -5.55939560410733 6.05173881789448 H -6.72291699917207 -3.46431753308787 4.76153441957699 H -7.24839931670797 -3.37337465244178 2.37131137815201 H -8.21968754744433 -4.86279726218357 2.48646429378878 H -10.48660269036364 -4.77118016699941 3.14580345739600 H -12.43377324517606 -3.47857983502493 3.89082016380828 H -12.36412337454804 0.15156260841111 4.62445215068205 H -13.42039539246831 -1.25653812851432 4.29349431662200 H -9.91686689958334 -0.10676220848844 4.60899117728398 H -7.96388942544750 -1.40814101143960 3.86342626564576 H -0.45390209873945 -3.68640080456464 7.34985348812075 H -0.09288577997059 -4.02914641630190 5.66289381110990 H -0.45842489722107 -5.35473028898488 6.77576652547693 H -2.38352050188852 -3.08598680174161 6.03690743431178 H -4.08694301133383 -4.15644183508492 7.16358865106783 H -2.70098409174247 -4.11273967966120 8.28072458410447 H -1.51524851474538 -6.25543564170617 8.84874974508476 H -1.65062699797312 -8.70114969153820 8.98833022460941 H -4.47059417291379 -10.71414691389914 7.76206105949408 H -2.92204164375732 -10.74380037715900 8.66028399205915 H -5.11892908854610 -8.65935894850452 6.50315450086961 H -4.95530994224927 -6.18736821596782 6.33413737717371 N -4.41324072595361 -2.60109667996162 4.57898404502608 93 energy: -132.058791201509 gnorm: 0.003143274659 xtb: 6.5.1 (b24c23e) N -3.52527918012809 -3.46439243343885 2.02790847203273 C -3.06867959221936 -4.38508740285655 1.00432426466692 C -2.62393865854038 -5.70319446091032 1.64399334392003 N -3.52496478839130 -6.05990853423471 2.72685077175948 C -4.79185791002361 -6.59073958850223 2.24990779566525 C -5.88501727524998 -6.33505812997711 3.28991052315574 N -5.75422595522445 -4.98660147986040 3.81078110510309 Mo -4.02904396192408 -4.09135936529202 3.79689189674967 N -2.61377553017935 -4.79160592852986 4.93171841152331 C -1.98613702127977 -6.06554310169914 4.63246919196990 C -2.89543322492043 -6.90369016690561 3.72898608047815 H -1.79615962436436 -6.64724749052605 5.54385387547690 H -1.00781432657179 -5.91505327894763 4.14025428599259 H -3.68092107372100 -7.34042151921917 4.35151393628811 H -2.32419898262128 -7.72995387111392 3.27173961154898 H -6.85807953177666 -6.48805748598117 2.80372713519348 H -5.81495386427727 -7.08290072954877 4.10036399460843 H -5.06092059110150 -6.05267900307102 1.33504118179092 H -4.72289907596988 -7.66620717774485 2.01164002647394 H -2.21302345535381 -3.97805507705248 0.44993211647520 H -3.86854438465052 -4.57504215243447 0.26455065746454 H -1.62629466421496 -5.55575572102825 2.06587407538151 H -2.56053219397340 -6.50007030588592 0.88289331522850 C -3.70218104742173 -1.73182418146176 0.20635874278761 C -3.41483257098024 -2.05908093419021 1.67611391640814 C -2.04992680591706 -1.46245509289277 2.14289079642685 C -0.85601740187632 -2.23410666158673 1.68317632944461 C -0.35760487250788 -3.26609471560244 2.47461343813443 C 0.72860981797312 -4.01587317037276 2.06314959809474 C 1.35199541026009 -3.75176049743063 0.84753181883454 C 2.54916318924531 -4.53200493065765 0.42146554382485 Cl 4.05099948819277 -3.74114545026413 1.06118974515959 C 0.86701612176622 -2.71093306923681 0.06222065349962 C -0.21966887072927 -1.96288922165284 0.47488891762033 C -7.81365000270436 -5.26736290128394 5.21317511233290 C -7.00531972625315 -4.39296622356558 4.24576835765039 C -7.86804897412891 -3.96541293632191 3.02594480071925 C -9.06684462931587 -3.17174974780130 3.44444363089282 C -10.33622888971403 -3.73886561558474 3.45124034716842 C -11.43614836433546 -3.01440187910867 3.87019062018748 C -11.29447087416030 -1.69716893894747 4.29089741844502 C -12.47829464311599 -0.92211186246853 4.76391218063551 Cl -12.71387953034565 -1.18027123594227 6.54367571006424 C -10.02528703238355 -1.12658371626154 4.28490999062549 C -8.92764181179307 -1.85291551333748 3.86459990790772 C -0.69173916655992 -4.34770802317239 6.50742832182365 C -2.17575467987380 -4.16314397834374 6.16845979706669 C -3.08967615813017 -4.56634456661548 7.36906370345769 C -3.21039994297030 -6.04347637624872 7.55142883871740 C -2.30680189863921 -6.76704786953707 8.32499784824092 C -2.39154487623695 -8.14422750185123 8.41078465717573 C -3.39708331716013 -8.83563753828664 7.74355606718769 C -3.46274593538632 -10.32440055048529 7.79621920021401 Cl -2.63618653797386 -11.02016306493539 6.33916510599574 C -4.32483276858729 -8.11252382515545 6.99944324318439 C -4.23191945970052 -6.73680807791241 6.90672679351458 H -4.64526547918249 -2.18385738976120 -0.09627807402915 H -3.79325732549438 -0.65459782199288 0.09325997984322 H -2.91519220959099 -2.08102370661495 -0.45682794115616 H -4.17273120152217 -1.55195770405908 2.28605067800119 H -1.99253697827993 -0.43005606618341 1.79535379313870 H -2.08823715010404 -1.47239528410430 3.23647390818164 H -0.84327128642258 -3.46400543747112 3.42500945887749 H 1.11045249738692 -4.81074321203447 2.68938337216810 H 2.66594314202901 -4.55298171112618 -0.66042441554208 H 2.55461724533923 -5.54153843141484 0.82821436410236 H 1.35102614027891 -2.48359244379449 -0.87654263310728 H -0.57510259588118 -1.15247186923131 -0.14413785053974 H -8.63986874490084 -4.68788997929245 5.61597807902871 H -8.22024414605002 -6.15008845464856 4.72420661546233 H -7.18332333947390 -5.58120676435042 6.04342567113458 H -6.71125043646172 -3.47793282157416 4.77168146553153 H -7.21602793528941 -3.36015345975379 2.38418161680330 H -8.19367547222424 -4.84802001625121 2.47006557504992 H -10.46635412923139 -4.76085331749480 3.12539111849949 H -12.41434187310137 -3.47322092612181 3.87340919614540 H -12.34656759615588 0.15100278718174 4.63768562267192 H -13.40274489692449 -1.25490569010703 4.29528614346878 H -9.90023646615836 -0.10464405510863 4.61181551222721 H -7.94656607534699 -1.40061429225128 3.86309476789671 H -0.43628394211295 -3.70039263138036 7.34249695584513 H -0.07332027163614 -4.05861975947949 5.65954676300577 H -0.45441567998668 -5.37251773919628 6.78104612617577 H -2.35517984173481 -3.08991473617072 6.02188736928280 H -4.07303417085855 -4.13980291601319 7.14680770458578 H -2.69199129217346 -4.09886465417789 8.27092777410168 H -1.52771920176107 -6.24606508254204 8.86152604248298 H -1.67116960547821 -8.69065138851096 9.00228173933059 H -4.48467963141083 -10.69753036237322 7.75863292406348 H -2.93588592355932 -10.73141383728841 8.65718199916673 H -5.12075955138605 -8.64029336917813 6.49233590002261 H -4.94953492870121 -6.16979208506163 6.32310433968538 N -4.40799001830006 -2.61353409778401 4.58386911600795 93 energy: -132.058984673618 gnorm: 0.003972995206 xtb: 6.5.1 (b24c23e) N -3.53526854642347 -3.47576314091002 2.02852167158544 C -3.08342375612846 -4.39407240660341 1.00174660524085 C -2.62869224191770 -5.71102348530575 1.63809414983720 N -3.52175868797307 -6.07251397305436 2.72521083921257 C -4.78929720479918 -6.60778669122424 2.25637097610562 C -5.87791979329393 -6.35102264255498 3.30223129094350 N -5.74638552336217 -5.00185870455420 3.81926800430507 Mo -4.02312897020522 -4.10463257151459 3.80022636527478 N -2.60051847701909 -4.80242515727554 4.92581372307118 C -1.97220619681065 -6.07430433374752 4.62306975766618 C -2.88386831315001 -6.91446259899313 3.72290712206021 H -1.77659221071780 -6.65780942117905 5.53247011247225 H -0.99665492028692 -5.92129325487227 4.12548706792396 H -3.66397111262355 -7.35486252837009 4.34941875848830 H -2.31135425013069 -7.73822121930157 3.26220228946126 H -6.85344116492906 -6.50757916973726 2.82205437997669 H -5.80078051047070 -7.09704739163888 4.11392440112929 H -5.06524147869354 -6.07427558641592 1.34106170864917 H -4.71938992046190 -7.68413284176676 2.02211613001928 H -2.23360156241492 -3.98509710542463 0.43947815913939 H -3.88935737807653 -4.58798109157874 0.26907430174315 H -1.62932139758341 -5.55870768848327 2.05401659394295 H -2.56572415097678 -6.50650493310911 0.87526441802080 C -3.71691664942711 -1.74234654506564 0.20606213832839 C -3.43569224527566 -2.06922492021182 1.67714524666704 C -2.07817482145041 -1.46209554725045 2.15097708383482 C -0.87839004227211 -2.22619803600452 1.69432236377416 C -0.37768504778510 -3.25647946972473 2.48596879359599 C 0.71160799342804 -4.00250440673081 2.07535025448575 C 1.33492646179249 -3.73649449617612 0.86032747902457 C 2.53024778607670 -4.51787652637970 0.43208087597182 Cl 4.03523357971034 -3.73413904739044 1.07511851519354 C 0.84999311434017 -2.69415514354697 0.07676854149133 C -0.23944919657914 -1.94990684662935 0.48846852437335 C -7.82185016016833 -5.27914124668863 5.20101566645946 C -6.99667535207711 -4.40313837288796 4.24908092764362 C -7.84330121166548 -3.95754564432390 3.02382528229513 C -9.04381010281807 -3.16431212909042 3.43782605090982 C -10.31394621207742 -3.73010417371747 3.43601635237991 C -11.41475932532458 -3.00765911235580 3.85559924592914 C -11.27403452759127 -1.69329923390181 4.28598884986161 C -12.45729769098134 -0.92275753994086 4.76610602442487 Cl -12.69060642095554 -1.19886757743170 6.54510245883687 C -10.00479251291694 -1.12285027414711 4.28480718532678 C -8.90613720292436 -1.84724611195450 3.86372030793338 C -0.67434575069607 -4.37214921598914 6.50308509406152 C -2.15500307086610 -4.16989324748888 6.15813315393234 C -3.07632805258216 -4.55325763622762 7.35944310964984 C -3.20898803479265 -6.02810024587715 7.54902464694534 C -2.31628280440950 -6.75413334840264 8.33289836652816 C -2.40855318379333 -8.13058798248642 8.42084708826343 C -3.41084352761057 -8.81867076845547 7.74516352321747 C -3.48105747914263 -10.30672792042334 7.79510482970309 Cl -2.65472385804456 -11.00005366566813 6.33498936117428 C -4.32961213538664 -8.09225492163570 6.99311388789347 C -4.22919223225780 -6.71710046629917 6.89817210077566 H -4.65557442292042 -2.19875839576501 -0.10319859804676 H -3.81267495491372 -0.66550666467235 0.09494849276906 H -2.92390162415177 -2.08606311263739 -0.45253247279636 H -4.20088772113527 -1.56848017931293 2.28331268931009 H -2.02677511994796 -0.42930378250589 1.80467025227125 H -2.12119898221714 -1.47481383828143 3.24404472723364 H -0.86298654099993 -3.45602253908397 3.43606345569161 H 1.09565939724516 -4.79580545937345 2.70204624830475 H 2.64725503483733 -4.53487151969527 -0.64967037732370 H 2.53260544100539 -5.52869800623410 0.83531210187622 H 1.33609945909906 -2.46308436572976 -0.85988204762211 H -0.59506953276915 -1.13868277832662 -0.12918682357113 H -8.64298765746398 -4.69349950479514 5.60433081037126 H -8.23631820474736 -6.15071127400165 4.69932531564126 H -7.20127289082594 -5.61039671847162 6.03196822004264 H -6.70038253208874 -3.49496684057711 4.78542351807614 H -7.18113788075566 -3.34629492961431 2.39877434589344 H -8.16409478486663 -4.83240345403448 2.45335882662915 H -10.44434821041296 -4.74987438316420 3.10379814110329 H -12.39309785775751 -3.46603113039152 3.85216930802482 H -12.32548189110561 0.15143098912598 4.65178111648516 H -13.38256356081853 -1.25105860934115 4.29652711616635 H -9.88010458963567 -0.10243253701624 4.61638550995902 H -7.92537319593411 -1.39437797712807 3.86739985296173 H -0.41413352002530 -3.72241618862245 7.33458711803873 H -0.04855871302342 -4.09775976918727 5.65574828729724 H -0.45258370316899 -5.39815409280028 6.78529082004304 H -2.31969735672316 -3.09510045346722 6.00434905889297 H -4.05473661800331 -4.11996569593133 7.12963883584932 H -2.67691926227207 -4.08325234859049 8.25886768360110 H -1.53987046060379 -6.23587214602782 8.87563704730000 H -1.69657333549344 -8.67915722435481 9.02041560764166 H -4.50343225258764 -10.67760427715678 7.75473659569613 H -2.95480657233602 -10.71776970699830 8.65417591189484 H -5.12442057273662 -8.61685015998271 6.48113199333153 H -4.93997378847846 -6.14753225083321 6.30836706120955 N -4.40170533629734 -2.62843391689168 4.59036009260450 93 energy: -132.059165436506 gnorm: 0.003634046637 xtb: 6.5.1 (b24c23e) N -3.54591030622924 -3.48695166954854 2.02927483543582 C -3.09868742924728 -4.40372312814195 0.99973242217825 C -2.63497351097570 -5.71892319510118 1.63321417953899 N -3.51974166181136 -6.08349684214771 2.72551950108414 C -4.78721129929461 -6.62490350496213 2.26436946030305 C -5.87111160066079 -6.36729985566976 3.31535787014262 N -5.73869736714654 -5.01730912435003 3.82883988591660 Mo -4.01714733337897 -4.11819974735158 3.80429316890561 N -2.58516055900564 -4.81355441625956 4.91913639546819 C -1.95738329765281 -6.08429461176471 4.61271811093470 C -2.87254956928779 -6.92530563269220 3.71677871476280 H -1.75607921740277 -6.66922052976074 5.52039270956494 H -0.98433337665694 -5.92966748727680 4.10972425886847 H -3.64617910068590 -7.37023054271402 4.34801104815996 H -2.30072145593221 -7.74559131148841 3.24932778095418 H -6.84915169793378 -6.52702577550881 2.84105629242284 H -5.78795101343155 -7.11136169138718 4.12859794370856 H -5.07053733495755 -6.09690588148640 1.34823665751945 H -4.71366184519863 -7.70180172014632 2.03491855930952 H -2.25422073886940 -3.99298663636913 0.43019229880646 H -3.91014965650150 -4.60093827486882 0.27336863081631 H -1.63331357253122 -5.56232313894121 2.04205251777823 H -2.57457569724348 -6.51466416235100 0.87070474113268 C -3.73205615168888 -1.75456694540481 0.20495339446451 C -3.45820537254916 -2.07983677886659 1.67801461570385 C -2.10840675291462 -1.46002267320441 2.15801552797489 C -0.90181920645879 -2.21561208367694 1.70535401807309 C -0.39881093050737 -3.24417783968483 2.49792101767174 C 0.69412327450397 -3.98605388652474 2.08896467774974 C 1.31747909953824 -3.71817802211127 0.87430530944559 C 2.51093821393725 -4.50169086856610 0.44371422884267 Cl 4.01999349814584 -3.72748545105111 1.08966213093389 C 0.83264166726485 -2.67488773470393 0.09182281542446 C -0.25991407329390 -1.93421055187737 0.50215958848218 C -7.83110645998921 -5.29375798984632 5.18631905754223 C -6.98814850361943 -4.41420132334912 4.25281778273353 C -7.81792761363850 -3.95073862713615 3.02232067732272 C -9.01986251863404 -3.15786084174863 3.43200393443948 C -10.29085857332105 -3.72187790681395 3.42080715394948 C -11.39255028733815 -3.00064204399628 3.84045149397215 C -11.25183073299595 -1.68928494939695 4.28025073815099 C -12.43448648261774 -0.92245731975367 4.76693419263166 Cl -12.66570725206455 -1.21581894510230 6.54389463806599 C -9.98205363809744 -1.11988227876855 4.28655899992937 C -8.88246237177064 -1.84323363808022 3.86574457299033 C -0.65499957316514 -4.39956558720682 6.49791015174433 C -2.13165855111460 -4.17733594583393 6.14650875854086 C -3.05978570181995 -4.53970827178829 7.34916978037398 C -3.20622882628580 -6.01193758512416 7.54638735755705 C -2.32537944673421 -6.74080175268165 8.34097590527828 C -2.42705086199211 -8.11653677215194 8.43192455203694 C -3.42701178076234 -8.79999866558905 7.74816242142957 C -3.50275295246822 -10.28776853946913 7.79448152474722 Cl -2.67649920299591 -10.97696386938486 6.33198410286872 C -4.33535938069351 -8.07014702429719 6.98660361299562 C -4.22550544956706 -6.69580710483375 6.88860990077464 H -4.66554595552747 -2.21616919615438 -0.11202099590561 H -3.83257868730595 -0.67808572796335 0.09397041445537 H -2.93160687058443 -2.09353010659007 -0.44728162082229 H -4.23104161477887 -1.58519012664895 2.27964449200142 H -2.06496276404352 -0.42718395652961 1.81096674318699 H -2.15543673492119 -1.47317960541876 3.25071536820022 H -0.88510090255956 -3.44541366355450 3.44717975248625 H 1.08084325617040 -4.77750518525863 2.71655251580909 H 2.62755896303836 -4.51506930506039 -0.63821519074920 H 2.50851169411106 -5.51436051594227 0.84285770838326 H 1.32111115496831 -2.44059325892865 -0.84288458704194 H -0.61570620169868 -1.12244368568106 -0.11485281457550 H -8.64964063356889 -4.70423423441439 5.58917892748469 H -8.25042223033278 -6.15377583452474 4.66879500861061 H -7.22216458338148 -5.64327520571951 6.01851172062876 H -6.69183501028511 -3.51318260646828 4.80112519833234 H -7.14623146433508 -3.33450329256046 2.41308907734770 H -8.13383865506036 -4.81835757356885 2.43845155250120 H -10.42188388822233 -4.73952422491204 3.08215076401293 H -12.37145810397755 -3.45794351908149 3.83007097298369 H -12.30209915134727 0.15262842009358 4.66333667279488 H -13.36064718174782 -1.24564800977596 4.29558798690415 H -9.85723360688027 -0.10141544383380 4.62455747364556 H -7.90110708210225 -1.39142386967446 3.87696882752180 H -0.38865533653144 -3.74833947047230 7.32636441122055 H -0.02099420238313 -4.14158256099109 5.65152926542793 H -0.45148389191995 -5.42722251841485 6.78853703702804 H -2.28028449779845 -3.10104783207133 5.98606206985166 H -4.03306301089839 -4.09845589993017 7.11351870099021 H -2.65678912744128 -4.06756392565955 8.24571586303488 H -1.55033271275958 -6.22590635018365 8.88895749840137 H -1.72420853997386 -8.66803874621479 9.03974799698914 H -4.52605708347611 -10.65579491684501 7.75125182907735 H -2.97838297463752 -10.70378131126123 8.65231008575351 H -5.12903728440005 -8.59157136107242 6.46937693267242 H -4.92716087741187 -6.12241037073646 6.29091953606027 N -4.39468466825649 -2.64440130965263 4.59788418675020 93 energy: -132.059297681745 gnorm: 0.002508384431 xtb: 6.5.1 (b24c23e) N -3.55573181664590 -3.49644765878329 2.02992900799480 C -3.11122315332241 -4.41241476860243 0.99854559674220 C -2.64078588285471 -5.72563858159914 1.62997673044023 N -3.51859297886251 -6.09210274429644 2.72720277785311 C -4.78577619465498 -6.63936458076558 2.27194108079994 C -5.86562332888782 -6.38184088257293 3.32653494447443 N -5.73216526513465 -5.03154558569131 3.83892820127147 Mo -4.01186796249560 -4.13000931326435 3.80864955203211 N -2.56958415151793 -4.82337755444154 4.91289404571110 C -1.94401546606211 -6.09451887606266 4.60366871937306 C -2.86320643162529 -6.93499580158458 3.71198686636824 H -1.73883749364760 -6.67993794091796 5.51041980744739 H -0.97270140330386 -5.94017265788896 4.09653013228717 H -3.63123732748641 -7.38365190989906 4.34733524736959 H -2.29364994157297 -7.75213297663563 3.23705846043948 H -6.84553663553474 -6.54260566593874 2.85628992821756 H -5.77914438783193 -7.12504302603967 4.14042788515555 H -5.07500727887274 -6.11593556004629 1.35513250512699 H -4.70775295359979 -7.71638588052590 2.04631385815861 H -2.27060001449688 -3.99978940377979 0.42439055954347 H -3.92608508968234 -4.61183258425799 0.27623248922378 H -1.63709267635588 -5.56602992086574 2.03271485232626 H -2.58351857806454 -6.52251175800384 0.86887425746316 C -3.74644878503712 -1.76680566267869 0.20291729790800 C -3.47926458456106 -2.08934477530038 1.67799879285271 C -2.13667341649761 -1.45650509211959 2.16272451788721 C -0.92347643259115 -2.20400662143443 1.71451493646967 C -0.41860728151869 -3.23120254005421 2.50828887773901 C 0.67777529941071 -3.96919547269833 2.10139945097079 C 1.30174288123859 -3.69955532472719 0.88720577332962 C 2.49385721724741 -4.48520664814498 0.45494885544839 Cl 4.00620912193687 -3.72033072946658 1.10380820446598 C 0.81692163563744 -2.65603206583633 0.10510703310925 C -0.27869630020235 -1.91839199337103 0.51385355474051 C -7.84019418779050 -5.30920602834020 5.17221571187778 C -6.98136889403258 -4.42546035693721 4.25694855525453 C -7.79528245226229 -3.94646378886500 3.02179823491485 C -8.99816295480463 -3.15332756295562 3.42728001227901 C -10.27013390155394 -3.71491500520564 3.40674312300859 C -11.37227416981995 -2.99403860834297 3.82657401148308 C -11.23039591293311 -1.68580406376370 4.27529733367006 C -12.41268483286116 -0.92102258382496 4.76630138133034 Cl -12.64419897380289 -1.22821751914659 6.54008482630236 C -9.95960194590707 -1.11856297845124 4.29067690529737 C -8.85959026450867 -1.84172973122856 3.87032616965957 C -0.63574681301306 -4.42533245407222 6.49234662048754 C -2.10835522078687 -4.18455668969023 6.13577447588504 C -3.04175103957281 -4.52776453858984 7.34006850475872 C -3.20230720610607 -5.99736494685692 7.54409389462099 C -2.33278342200481 -6.72939864649653 8.34798331215193 C -2.44439071332605 -8.10444111411032 8.44181928093364 C -3.44304047320195 -8.78253827663872 7.75108390676686 C -3.52539263256478 -10.27038640496860 7.79441965787025 Cl -2.69918147446812 -10.95746056038627 6.33190618539353 C -4.34107988999328 -8.04910173296008 6.98056969072346 C -4.22141690940830 -6.67574738480810 6.87989579415957 H -4.67474253379837 -2.23409558181887 -0.12087717730247 H -3.85205169280103 -0.69079117679738 0.09018373044360 H -2.93891890513093 -2.10166113884521 -0.44302588776584 H -4.25914756468650 -1.60015315517863 2.27516546406714 H -2.10138350673352 -0.42391991741397 1.81354314001722 H -2.18718643900418 -1.46799884760937 3.25527447646913 H -0.90682169893879 -3.43411764799938 3.45633475146231 H 1.06653751354167 -4.75932313099349 2.72972800755757 H 2.61025528815966 -4.49562976548146 -0.62726729212538 H 2.48644248956200 -5.49975519279926 0.85013699121980 H 1.30720983094804 -2.41966337725436 -0.82829572587892 H -0.63472497739285 -1.10648896534987 -0.10320029185746 H -8.65871344813123 -4.71844714845526 5.57376499335056 H -8.26101749233170 -6.15921083445496 4.63939929357112 H -7.24282828869464 -5.67438635330879 6.00582929957745 H -6.68695106433187 -3.53083924987359 4.81677964890476 H -7.11466998307693 -3.32695216044352 2.42608683476721 H -8.10712965477574 -4.80803075583167 2.42689444497900 H -10.40186573710242 -4.73060252929421 3.06200870060965 H -12.35209268029482 -3.44957043513006 3.80990942638015 H -12.27905695680210 0.15469883178485 4.67065059478910 H -13.33915747230635 -1.23928182679503 4.29174890552321 H -9.83416211403178 -0.10239114031710 4.63597011939275 H -7.87691507850836 -1.39262206738480 3.88979385054702 H -0.36254225135407 -3.77340537331754 7.31823867112304 H 0.00511535515535 -4.18260474084074 5.64679268612147 H -0.44903537050291 -5.45419667553714 6.79015961562557 H -2.24210863930173 -3.10715139183630 5.96985529221155 H -4.01022996410359 -4.07818502876444 7.10060172773288 H -2.63417532312624 -4.05431259175506 8.23392692996411 H -1.55805373249408 -6.21812992311924 8.90016311106210 H -1.75017548054166 -8.65928413603272 9.05671102913144 H -4.55026485347295 -10.63441991540746 7.74879463801107 H -3.00454484187193 -10.69085405092393 8.65247505445758 H -5.13385111494442 -8.56751593433509 6.45852916940070 H -4.91361760273370 -6.09774505915606 6.27499081388142 N -4.38805467187763 -2.65848307698158 4.60543057301784 93 energy: -132.059384125444 gnorm: 0.001572444300 xtb: 6.5.1 (b24c23e) N -3.56296553839092 -3.50287269983285 2.03069945174129 C -3.11852536620818 -4.41843835348266 0.99853545587676 C -2.64411410009996 -5.73016927109130 1.62867745230678 N -3.51772250246043 -6.09802438903634 2.72904868033121 C -4.78468432789753 -6.64902449379517 2.27688155424282 C -5.86197853861031 -6.39277725181306 3.33341833519340 N -5.72754434891419 -5.04303240066574 3.84779521304307 Mo -4.00798059831934 -4.13874237264464 3.81245563775646 N -2.55690708593830 -4.83065505757599 4.90839013265064 C -1.93454745037862 -6.10332340226354 4.59776897673051 C -2.85729364816069 -6.94236829817177 3.70931038234213 H -1.72810004605883 -6.68848713510704 5.50443739070781 H -0.96407465748187 -5.95084881561065 4.08831719978692 H -3.62205512437431 -7.39275972911013 4.34725478590999 H -2.29044760301078 -7.75777910927764 3.22898272823113 H -6.84281059571932 -6.55219981884013 2.86476956072352 H -5.77491524620366 -7.13672913727333 4.14655828957737 H -5.07721758890425 -6.12779751405349 1.35997624345076 H -4.70328428619340 -7.72581968679968 2.05281238316300 H -2.27978375562580 -4.00388066345320 0.42298188212164 H -3.93430734866283 -4.61905388252602 0.27763455456568 H -1.63926932304056 -5.56905354163808 2.02790035113910 H -2.58896308711314 -6.52792807226431 0.86871630534603 C -3.75841746703646 -1.77718249105888 0.20033188473448 C -3.49559912232051 -2.09604157880149 1.67705755168315 C -2.15865838432608 -1.45229639797232 2.16430968024878 C -0.94028343662109 -2.19358276001853 1.72025456934793 C -0.43432172197704 -3.21977972855455 2.51521396352060 C 0.66451432914312 -3.95497035428410 2.11025624945223 C 1.28958916348344 -3.68409115029854 0.89666454112633 C 2.48135583070196 -4.47089731561911 0.46410509560628 Cl 3.99500501634121 -3.71242257476720 1.11614663729239 C 0.80478714498584 -2.64085187278529 0.11440418490368 C -0.29321527270780 -1.90534767623057 0.52157492989682 C -7.84733432339013 -5.32319338948129 5.16185730388136 C -6.97720400351581 -4.43573608532334 4.26118446528186 C -7.77883499098053 -3.94573081953112 3.02262785586616 C -8.98186038135379 -3.15139811269584 3.42462193802868 C -10.25494391404643 -3.70990448395890 3.39585556270427 C -11.35693094514517 -2.98846103651634 3.81570834577819 C -11.21303329136999 -1.68314381061477 4.27200335451593 C -12.39519577555342 -0.91855531748147 4.76456310696493 Cl -12.63008173959890 -1.23465468175483 6.53492210194973 C -9.94092812644764 -1.11897667234087 4.29603165412662 C -8.84115181885288 -1.84278143048700 3.87615875950879 C -0.61936734947103 -4.44503407063734 6.48677093932046 C -2.08883789981110 -4.19036284692138 6.12782824961047 C -3.02516921987062 -4.51917955981556 7.33379753058472 C -3.19781486208019 -5.98660853213457 7.54255984303259 C -2.33740541897987 -6.72195382866110 8.35286460653691 C -2.45777672922386 -8.09634198519219 8.44864718393450 C -3.45620884301925 -8.76928001146078 7.75295088137708 C -3.54579288620620 -10.25727060327382 7.79518330781488 Cl -2.71968843715762 -10.94617595962257 6.33512731093412 C -4.34587425718260 -8.03224571079452 6.97613731542930 C -4.21773604090817 -6.65985028187873 6.87387055426123 H -4.68241478234929 -2.24990968498229 -0.12771854194582 H -3.86900968279902 -0.70177022358507 0.08481748622372 H -2.94567859521834 -2.10872894140748 -0.44096801924182 H -4.28061930091455 -1.61059674525595 2.27060735841045 H -2.12990948111565 -0.42030690030284 1.81229537218144 H -2.21182005012941 -1.46097077844499 3.25683718207812 H -0.92453848812198 -3.42404602417763 3.46204469547132 H 1.05428453211185 -4.74434365707748 2.73912068451893 H 2.59832170569167 -4.47924341831270 -0.61827060834853 H 2.47026684225079 -5.48680215115002 0.85631236353573 H 1.29633551452859 -2.40332359232051 -0.81818894093374 H -0.64947074275133 -1.09371222395139 -0.09598029076158 H -8.66740725187666 -4.73273946459690 5.56154330179080 H -8.26742417896213 -6.16638704364594 4.61774181629775 H -7.25910461212825 -5.69881650277013 5.99682960601911 H -6.68539283740516 -3.54585363469519 4.83000058407006 H -7.09101305380455 -3.32516357424270 2.43644922613882 H -8.08829413187374 -4.80284978429809 2.42003807322163 H -10.38762330872028 -4.72362748311955 3.04531000400197 H -12.33788570949510 -3.44156414405875 3.79365421498237 H -12.25962136774652 0.15749672154983 4.67371853851824 H -13.32117286025491 -1.23265968649478 4.28575045248863 H -9.81436767016196 -0.10525547585524 4.64844618094183 H -7.85688061973000 -1.39732459576184 3.90284757142856 H -0.33975967419515 -3.79255177045168 7.31034930551054 H 0.02541503904015 -4.21392896260791 5.64119172797062 H -0.44469620501141 -5.47431360075966 6.79003961165902 H -2.21137347444404 -3.11233209680661 5.95801091679918 H -3.98972435539343 -4.06204156156964 7.09261640681886 H -2.61296911855248 -4.04566544900508 8.22564447836949 H -1.56223695904164 -6.21417879007612 8.90795639047483 H -1.77043051457742 -8.65433711817811 9.06844182990880 H -4.57262783030120 -10.61628077202613 7.74765652430681 H -3.02958039737186 -10.68061161576246 8.65490865963621 H -5.13835365262105 -8.54785247560868 6.45062159316264 H -4.90246023317160 -6.07752705202187 6.26433162612573 N -4.38321715112360 -2.66903649885892 4.61223621198626 93 energy: -132.059483431022 gnorm: 0.002215336639 xtb: 6.5.1 (b24c23e) N -3.57056557043671 -3.50966037084712 2.03252056029756 C -3.12234898120082 -4.42420362629860 1.00018750681677 C -2.64482408637426 -5.73451186567746 1.62926377076176 N -3.51598276216701 -6.10448307193525 2.73133305515062 C -4.78257031600412 -6.65787307465065 2.27985221082104 C -5.85824264101957 -6.40533902632961 3.33757324392622 N -5.72233607588364 -5.05775174138044 3.85884508709754 Mo -4.00357700024720 -4.14909168131665 3.81764363303045 N -2.54187700647183 -4.83921477241654 4.90378710225105 C -1.92528576870664 -6.11521963850840 4.59315016085437 C -2.85260366787972 -6.95122285724256 3.70776580338904 H -1.72014255633079 -6.69941717599287 5.50060919525258 H -0.95495522313880 -5.96724298968484 4.08249055694719 H -3.61568336551247 -7.40146605791333 4.34767308283045 H -2.28977904278106 -7.76621806554194 3.22286680905047 H -6.83934059785141 -6.56010555363183 2.86838878500015 H -5.77318372003346 -7.15266714066763 4.14761540614662 H -5.07687249658255 -6.13636237115265 1.36380881169825 H -4.69804921318452 -7.73394359935358 2.05466109800406 H -2.28410623842810 -4.00629294897547 0.42645028958221 H -3.93651179242038 -4.62588117594339 0.27814632950151 H -1.63957018040676 -5.57243884845625 2.02690237282693 H -2.59057591989003 -6.53260577785573 0.86991532174711 C -3.77479427581801 -1.79087979816896 0.19649212218915 C -3.51488529447259 -2.10331005496137 1.67511678031467 C -2.18462362871750 -1.44560701862062 2.16317047730540 C -0.96040988646330 -2.17994834924139 1.72451729774774 C -0.45358664238712 -3.20494642659144 2.52110354833603 C 0.64787422652990 -3.93710714197197 2.11868291407105 C 1.27509372116492 -3.66481860069807 0.90625803374375 C 2.46796389811221 -4.45147925648304 0.47530098383824 Cl 3.98013240535541 -3.69745748039447 1.13360567145927 C 0.79026503729242 -2.62241212522753 0.12331395287821 C -0.31067081320388 -1.88942669050990 0.52808147591828 C -7.85484213019139 -5.34295207980816 5.15137721971234 C -6.97339763191680 -4.45062413192132 4.26752919660586 C -7.76131103892024 -3.94872800094731 3.02555252228263 C -8.96343776097607 -3.15149509025972 3.42361038944922 C -10.23860417638172 -3.70418406459730 3.38285052369080 C -11.33962185397387 -2.98076071799035 3.80227836086943 C -11.19168618648766 -1.67983255000898 4.26925387381213 C -12.37385758865348 -0.91322950022862 4.76052401276267 Cl -12.61847470222347 -1.23752658836238 6.52583678887073 C -9.91716746016874 -1.12168489347412 4.30615398719012 C -8.81847607552009 -1.84745357946083 3.88720493217916 C -0.59807323450709 -4.46702857780495 6.47792258032262 C -2.06432028656626 -4.19722666373609 6.11890411708569 C -3.00215072209486 -4.50971286251519 7.32778590851473 C -3.19031839508905 -5.97453925968321 7.54095050201017 C -2.34067768100259 -6.71537543710686 8.35706946087795 C -2.47322588583905 -8.08873212644365 8.45498356357531 C -3.47305573779341 -8.75414840918123 7.75466353430413 C -3.57495259766536 -10.24213047578730 7.79802708546220 Cl -2.74905753119875 -10.93953959504057 6.34448902334775 C -4.35238297673127 -8.01132722418572 6.97168677557416 C -4.21285391270930 -6.64027664743701 6.86813249909187 H -4.69331681795859 -2.27202302919460 -0.13456633848820 H -3.89357271387950 -0.71657523096068 0.07639415549091 H -2.95646576746218 -2.11751745136343 -0.44033933158347 H -4.30557981803607 -1.62212233501963 2.26464180049059 H -2.16374546687540 -0.41494356214139 1.80623961389111 H -2.24037807447666 -1.44922707896294 3.25571390534500 H -0.94645494654847 -3.41085476560503 3.46629325840244 H 1.03812272599915 -4.72603870346701 2.74792890578711 H 2.58745466374974 -4.45743636765389 -0.60700675908674 H 2.45371281785328 -5.46871054364161 0.86433107845947 H 1.28308737452307 -2.38387638583720 -0.80845418822548 H -0.66728052489059 -1.07858807700464 -0.09053750311766 H -8.67807526721771 -4.75396287865643 5.54806826867614 H -8.27249175669090 -6.17951939603951 4.59526040029162 H -7.27708148974750 -5.72876649526283 5.98843325126956 H -6.68545929574821 -3.56600889556038 4.84660422857431 H -7.06493234167447 -3.32856861766081 2.44914163014965 H -8.06967301587452 -4.80075833029409 2.41510971832456 H -10.37322700118086 -4.71471546094906 3.02361119479477 H -12.32263774652638 -3.42911609940908 3.77207450987825 H -12.23398009904123 0.16290352977918 4.67396625182541 H -13.29802376948487 -1.22155023303599 4.27383395072541 H -9.78824965916102 -0.11179577585854 4.66863701077468 H -7.83157339237603 -1.40849904616141 3.92390213928367 H -0.30943770685063 -3.81295635503192 7.29749540894482 H 0.04903080589997 -4.24959938249119 5.63076444743173 H -0.43580056740292 -5.49604001530105 6.78831963967526 H -2.17451382863674 -3.11876110690725 5.94440849272035 H -3.96162363825863 -4.04172239621159 7.08627572842327 H -2.58277778504289 -4.03784822299266 8.21737031221695 H -1.56385164127168 -6.21300662981435 8.91500962103753 H -1.79409521921056 -8.65130733973947 9.07955789594630 H -4.60518672728369 -10.59192603767261 7.74777223582108 H -3.06708607433072 -10.66790676128875 8.66187035991247 H -5.14553281714527 -8.52246983071727 6.44268927082746 H -4.88898565146687 -6.05203795600251 6.25458449451099 N -4.37810872411108 -2.68225688523007 4.62287863223310 93 energy: -132.059554279232 gnorm: 0.002485448049 xtb: 6.5.1 (b24c23e) N -3.57378872627659 -3.51337299573989 2.03418088092066 C -3.12066248705396 -4.42635190710274 1.00219793995330 C -2.64201373748287 -5.73633891254047 1.63094179230813 N -3.51392733352090 -6.10817393729441 2.73186931560533 C -4.78015157492113 -6.66099497300444 2.27848142667095 C -5.85615241360958 -6.41181827222877 3.33639432498533 N -5.71936223684448 -5.06639295741007 3.86364384049735 Mo -4.00145906692745 -4.15476292624408 3.82058207476739 N -2.53504757699379 -4.84392027368425 4.90196499269483 C -1.92209029816281 -6.12214186199485 4.59265312611475 C -2.85154194509677 -6.95619724883158 3.70789471224522 H -1.71924632891948 -6.70578607281816 5.50093023259625 H -0.95123151681446 -5.97758565949082 4.08235398298572 H -3.61547344911058 -7.40472749817109 4.34802791011758 H -2.29064217640027 -7.77239372159188 3.22277760088958 H -6.83693244456860 -6.56292792624828 2.86562630474822 H -5.77314098300049 -7.16245985907571 4.14342949454674 H -5.07410525582122 -6.13696063883022 1.36374919234046 H -4.69517091221011 -7.73645000429535 2.05027541705634 H -2.28175697496797 -4.00576155441700 0.43141058594129 H -3.93229510983039 -4.62886989478835 0.27776603502308 H -1.63739817416975 -5.57361570778319 2.02990065213643 H -2.58610134202169 -6.53368585844735 0.87088781507159 C -3.78583935780458 -1.79870713853633 0.19506940394678 C -3.52501504966980 -2.10710113330652 1.67438835702867 C -2.19795984429809 -1.44195528490549 2.16110498895550 C -0.97109087765267 -2.17308914721952 1.72489391531248 C -0.46384210699419 -3.19728527350290 2.52230588424203 C 0.63885704555906 -3.92799517874575 2.12107551762877 C 1.26750929488910 -3.65480762670755 0.90956547170398 C 2.46246659004694 -4.43955953605579 0.48095653794989 Cl 3.97129042574508 -3.68439455626479 1.14476862234102 C 0.78239031678936 -2.61305338956865 0.12608187371027 C -0.32024016303636 -1.88171896806021 0.52935468386740 C -7.85710703462994 -5.35485757955055 5.14780820325171 C -6.97129291965743 -4.46002757781040 4.27128169990872 C -7.75355477440652 -3.95235467992790 3.02825803198458 C -8.95448747376687 -3.15281880238395 3.42491724987330 C -10.23131427529500 -3.70091134113415 3.37612271749206 C -11.33142906328381 -2.97557667073980 3.79452032046100 C -11.18063220868510 -1.67753668469653 4.26839709586609 C -12.36270262136851 -0.90855798597623 4.75707277102900 Cl -12.61660688067903 -1.23655256635367 6.51971146110704 C -9.90431942185729 -1.12416051575670 4.31370197892739 C -8.80657361934793 -1.85174912102505 3.89573575837233 C -0.58634405564134 -4.47652129299891 6.47145874370253 C -2.05178217712269 -4.20055423428566 6.11445963594048 C -2.98882336141054 -4.50542850719518 7.32574012469543 C -3.18529514902152 -5.96892393485308 7.54021411240595 C -2.34075097401313 -6.71358221382466 8.35799835482703 C -2.48064616375042 -8.08615184150958 8.45696150270621 C -3.48266818983112 -8.74692605525246 7.75555170457917 C -3.59361794475154 -10.23443294351129 7.80150945399906 Cl -2.76763659138757 -10.94079494020605 6.35319920219979 C -4.35664455262930 -8.00010015887135 6.97042884554242 C -4.21035366894334 -6.62982463362762 6.86630298478034 H -4.70138925800797 -2.28553635970088 -0.13586620356536 H -3.91067827038019 -0.72528034234209 0.07284580342226 H -2.96526578723755 -2.12155525439823 -0.44078809348197 H -4.31833275173537 -1.62856862788807 2.26266298780709 H -2.18107276808375 -0.41231669802200 1.80102305823387 H -2.25417158426920 -1.44245770687817 3.25360567734765 H -0.95777763299225 -3.40415222498036 3.46672538506239 H 1.02918995448180 -4.71673490651266 2.75047045941489 H 2.58503015347724 -4.44410124445022 -0.60101818760424 H 2.44826560945416 -5.45725620422551 0.86867449806593 H 1.27594363234244 -2.37373590373700 -0.80509287430285 H -0.67735950682576 -1.07162539393144 -0.08991807618398 H -8.68161160887557 -4.76647413677730 5.54318724650945 H -8.27365984662642 -6.18889047708897 4.58696202153944 H -7.28365136799712 -5.74476867415013 5.98594842010754 H -6.68463246658694 -3.57804073467412 4.85507068336354 H -7.05297451452872 -3.33282032619017 2.45603717168446 H -8.06267123324978 -4.80168631961598 2.41427827402332 H -10.36768551776110 -4.70905648299312 3.01093809968441 H -12.31595389747384 -3.42016143555332 3.75820549020988 H -12.21906490056011 0.16745922456012 4.67316076252820 H -13.28527860337272 -1.21287393426662 4.26476276219640 H -9.77345945276467 -0.11676941011830 4.68215743890053 H -7.81809191601218 -1.41707121415697 3.93840279865417 H -0.29243735076232 -3.82048343151623 7.28764308355042 H 0.06024632829153 -4.26605903469875 5.62213401219519 H -0.42872336178847 -5.50489758749216 6.78623768392554 H -2.15683445559791 -3.12203718884781 5.93715397193472 H -3.94571816548975 -4.03174477540283 7.08541545637171 H -2.56487703424870 -4.03542896706338 8.21417567538897 H -1.56212906379444 -6.21488448233349 8.91669616513552 H -1.80556200880315 -8.65157069459965 9.08325071281310 H -4.62608366615264 -10.57743961840008 7.74906249040421 H -3.09166219894969 -10.66087692806349 8.66853639465651 H -5.15121106550224 -8.50787218841801 6.44036602403589 H -4.88271957489299 -6.03837150924216 6.25162423874649 N -4.37654793410037 -2.68938162941615 4.62856962668230 93 energy: -132.059681492830 gnorm: 0.002675130410 xtb: 6.5.1 (b24c23e) N -3.57696479904298 -3.51936892039592 2.03721507123005 C -3.11339533100245 -4.42882757451503 1.00633584408253 C -2.63398894675516 -5.73865039172816 1.63508140014344 N -3.50953496700631 -6.11388736501944 2.73187156977749 C -4.77481869394950 -6.66394963051245 2.27286487476833 C -5.85266800429922 -6.42150869055674 3.33040846099145 N -5.71490342277727 -5.08037023249450 3.86883496803353 Mo -3.99851715498766 -4.16401704572802 3.82455409180921 N -2.52629264965273 -4.85136812384760 4.89997591659183 C -1.91937107172513 -6.13326453288763 4.59385989368548 C -2.85164760309857 -6.96397958181485 3.70901872602297 H -1.72148981029055 -6.71607454153702 5.50370726627551 H -0.94704029529243 -5.99481108967852 4.08522938847005 H -3.61872984122883 -7.40804194277881 4.34866452377635 H -2.29370358245324 -7.78357027637504 3.22581815602216 H -6.83238146132507 -6.56629409134047 2.85582695163841 H -5.77361896540761 -7.17865679347793 4.13153502659756 H -5.06684935634168 -6.13346342890056 1.36112638018904 H -4.69002304109883 -7.73808185004928 2.03732916990992 H -2.27241099074705 -4.00333612257316 0.44233690322222 H -3.91916267832455 -4.63276560503692 0.27611576841855 H -1.63136799633076 -5.57475256314242 2.03856311090381 H -2.57314727110810 -6.53417884561109 0.87326244857171 C -3.80578908972619 -1.81150883104267 0.19383305597040 C -3.53988652891718 -2.11319189190309 1.67369360842176 C -2.21732214513524 -1.43603107549432 2.15554218528637 C -0.98669348323701 -2.16256237231396 1.72264064335503 C -0.47831981654034 -3.18481598109929 2.52174339343685 C 0.62651779563921 -3.91310976813713 2.12254995339652 C 1.25745101229089 -3.63858358642610 0.91256750458826 C 2.45717312956154 -4.41855341950455 0.48908842132951 Cl 3.95843780576560 -3.65807398806132 1.16316307589356 C 0.77106157488454 -2.59865528079310 0.12756612045084 C -0.33464715086900 -1.87045422020884 0.52802648341513 C -7.85777048036508 -5.37538519084036 5.14455802016122 C -6.96817960492384 -4.47633858072066 4.27702682937444 C -7.74475566615395 -3.96079847467292 3.03418108622040 C -8.94282823221879 -3.15667330041269 3.42975147714869 C -10.22295934868999 -3.69550336175121 3.36645134078807 C -11.32115316619320 -2.96579728894802 3.78199983664595 C -11.16484217395463 -1.67285882069784 4.26773123720274 C -12.34640636475818 -0.89812873044940 4.74940268983096 Cl -12.61962850849386 -1.23076613212169 6.50785089139556 C -9.88495673857152 -1.12919538880556 4.32857300120363 C -8.78918205779000 -1.86094832178420 3.91310120629942 C -0.56824478359291 -4.48810575022438 6.45898276087974 C -2.03365428767594 -4.20542810315783 6.10792324060741 C -2.96665127184488 -4.50052173119300 7.32432556650025 C -3.17599035261556 -5.96205889083002 7.53959963239702 C -2.33806850386140 -6.71379684823700 8.35746590425814 C -2.49092237862213 -8.08481918602014 8.45835223911636 C -3.49901402602492 -8.73721956249233 7.75792387892837 C -3.62718450734754 -10.22332291231208 7.81011381459248 Cl -2.80027808729933 -10.94838559243569 6.37207121785582 C -4.36508312581254 -7.98310286027324 6.97122922024901 C -4.20690791995733 -6.61420482866505 6.86602253559047 H -4.71680652679817 -2.30838808816784 -0.13450027948836 H -3.94180573263322 -0.73978119711755 0.06857342384754 H -2.98289332282490 -2.12754134300649 -0.44225945715565 H -4.33627114842015 -1.63937069254193 2.26169493233016 H -2.20706928688566 -0.40851454832909 1.78924983254642 H -2.27253033686892 -1.43038666435798 3.24799419437967 H -0.97358604111594 -3.39314207205073 3.46511036468196 H 1.01699672400472 -4.70122613401605 2.75250853319415 H 2.58606841685025 -4.42099428378743 -0.59207757757230 H 2.44482694543705 -5.43672289511363 0.87531143944762 H 1.26555682478875 -2.35831129470821 -0.80275873324254 H -0.69333055426194 -1.06228786937431 -0.09275182530125 H -8.68463022700270 -4.78896050739134 5.53804550056579 H -8.27122597131018 -6.20718550890569 4.57842537996618 H -7.28913621562677 -5.76869764447087 5.98417863696444 H -6.68307598135961 -3.59812723830397 4.86715782450394 H -7.03906115197866 -3.34309353393437 2.46630217648192 H -8.05659965365106 -4.80631079444376 2.41641257980958 H -10.36310716358623 -4.69927308774838 2.99099163408033 H -12.30861625872403 -3.40273160547644 3.73381297920747 H -12.19479493193694 0.17733405308183 4.67022692190425 H -13.26595866977103 -1.19465715824718 4.24672781352782 H -9.75001884323038 -0.12619455317671 4.70702874817407 H -7.79779502806058 -1.43427258752902 3.96682144116893 H -0.26557322336779 -3.82831831143266 7.26886726931582 H 0.07495447274855 -4.28742030534888 5.60482615935336 H -0.41515814160917 -5.51491781039016 6.78024926035622 H -2.13311420352245 -3.12716149709243 5.92659219595786 H -3.91999675263411 -4.01794528888025 7.08849845169140 H -2.53378922189355 -4.03465664943016 8.21068476773488 H -1.55483678734778 -6.22183501665926 8.91556325367225 H -1.82134787732833 -8.65548263468065 9.08552971816528 H -4.66357369644219 -10.55362309411255 7.75292647553634 H -3.13647483615053 -10.65034091927732 8.68333934972053 H -5.16368133412213 -8.48428737269056 6.44110845914714 H -4.87431054472496 -6.01746156932446 6.25093224564136 N -4.37588930135208 -2.70081776951328 4.63622592577718 93 energy: -132.059822817030 gnorm: 0.002619628439 xtb: 6.5.1 (b24c23e) N -3.57962573791706 -3.52820613026990 2.04074421986967 C -3.10216105172767 -4.43237743093090 1.01135213565977 C -2.62171782818500 -5.74192050870685 1.64053392621179 N -3.50290233115099 -6.12167738963223 2.73097329405361 C -4.76667923142110 -6.66771237288014 2.26392851882373 C -5.84744963753108 -6.43417943623672 3.32079798375186 N -5.70922674217871 -5.09847051855666 3.87257831920107 Mo -3.99488775777574 -4.17670850379646 3.82853736573832 N -2.51643859991663 -4.86131261275410 4.89769119468580 C -1.91652334161146 -6.14733401730616 4.59585351336448 C -2.85180143446469 -6.97409744993791 3.71037028689355 H -1.72467255390466 -6.72941847471729 5.50752920083505 H -0.94221571734720 -6.01613155493252 4.08944000688251 H -3.62333820592194 -7.41204591610143 4.34918457185050 H -2.29724374697166 -7.79841557828242 3.23054354726381 H -6.82568293363572 -6.57231183893390 2.84141183797248 H -5.77241187395458 -7.19944733339526 4.11450608942497 H -5.05606152169529 -6.12847015628504 1.35628693009942 H -4.68223221820337 -7.73999783469681 2.01843311168646 H -2.25860886549267 -4.00049527478471 0.45603967427695 H -3.90009448834449 -4.63856532655878 0.27340969461589 H -1.62216070623544 -5.57573363921478 2.05079955396812 H -2.55310257388192 -6.53515445268819 0.87659808102555 C -3.83330432966016 -1.82839207110410 0.19363899727580 C -3.55838055853562 -2.12210002210311 1.67362772319759 C -2.24115963977133 -1.42917246636709 2.14752332988297 C -1.00544699443099 -2.14939011681527 1.71839541546730 C -0.49447363918739 -3.16817649409886 2.52011949482371 C 0.61373481779941 -3.89270192864492 2.12365629360329 C 1.24693449248427 -3.61646651725836 0.91534672664980 C 2.45314837638022 -4.38952695870171 0.49846251365694 Cl 3.94455534479327 -3.62133330320573 1.18572343619467 C 0.75774878411578 -2.57972423630134 0.12786156325089 C -0.35250289821610 -1.85641172727471 0.52450839465634 C -7.85611553509820 -5.40282779558496 5.14135712779727 C -6.96366390885029 -4.49761510995962 4.28340413972036 C -7.73590636304051 -3.97223522752600 3.04221246449618 C -8.92996792340733 -3.16230095924139 3.43796511201746 C -10.21466031737413 -3.68794954690848 3.35508620110467 C -11.31021038765615 -2.95161869807356 3.76572298562693 C -11.14653200349714 -1.66538482363699 4.26678757807433 C -12.32666284970488 -0.88210327167309 4.73833937586807 Cl -12.62687794000710 -1.22124422610463 6.49172078044055 C -9.86172046186821 -1.13566759039425 4.34899226557904 C -8.76864903721125 -1.87377096093005 3.93790616913128 C -0.54590781767270 -4.50075813751172 6.44139886065437 C -2.01231444613833 -4.21141239725130 6.09937353787971 C -2.93836543232076 -4.49560021368714 7.32349742523931 C -3.16362566105712 -5.95481110576164 7.53940955533660 C -2.33297570756597 -6.71626714246788 8.35583881139948 C -2.50346568715398 -8.08504447257941 8.45969671349419 C -3.52169406054612 -8.72580078151548 7.76289014983599 C -3.67313766365126 -10.20942928753424 7.82372301852131 Cl -2.84378417577836 -10.95946966461030 6.39926502534481 C -4.37817850527616 -7.96181559785092 6.97522968254489 C -4.20349620205540 -6.59489037681014 6.86788817222566 H -4.73881153833587 -2.33837348691922 -0.13003592908348 H -3.98430067396492 -0.75897201211918 0.06559787394455 H -3.00822317782999 -2.13518758643457 -0.44409283519545 H -4.35802056794310 -1.65536086809274 2.26299994951099 H -2.24014778369926 -0.40463167222876 1.77268771100825 H -2.29386677681233 -1.41494697258740 3.23992466888562 H -0.99093851454374 -3.37826357770071 3.46244132119198 H 1.00533285870625 -4.67917817445403 2.75485500398288 H 2.59029354100966 -4.38918570160059 -0.58158292301204 H 2.44394953130537 -5.40828334268472 0.88295679335824 H 1.25323041969653 -2.33811306509838 -0.80151347388454 H -0.71423017894876 -1.05146912338150 -0.09859570080192 H -8.68567037883293 -4.81913583964640 5.53322947012299 H -8.26584971468646 -6.23234999388358 4.56884640020518 H -7.29174266865629 -5.79984368234657 5.98242562968979 H -6.67932712599818 -3.62432178000032 4.88124726388831 H -7.02508997417752 -3.35612376088784 2.47869549927188 H -8.05211245685975 -4.81290246336705 2.41991746363555 H -10.36037441001537 -4.68596627069214 2.96662969257746 H -12.30160743858735 -3.37773168245586 3.70095694440205 H -12.16359852126572 0.19239264796063 4.66692351681182 H -13.24242021818884 -1.16712821302014 4.22211202333246 H -9.72094163442885 -0.13838367072989 4.74016532428235 H -7.77356930845539 -1.45773106478915 4.00669310566375 H -0.23239726408153 -3.83568694059002 7.24280369110859 H 0.09195877083807 -4.31178812134849 5.58038716504773 H -0.39735593065156 -5.52571939505776 6.77090782926784 H -2.10655396044061 -3.13349196805468 5.91297897418919 H -3.88786941700185 -4.00202556621379 7.09564544112598 H -2.49287056483575 -4.03554838036734 8.20673287576488 H -1.54211823115473 -6.23360760357632 8.91132290832924 H -1.84020911084458 -8.66315718949679 9.08674978841471 H -4.71421930099051 -10.52326290420139 7.75878578855976 H -3.19766113071482 -10.63753149049152 8.70491085492650 H -5.18369644537240 -8.45339694554922 6.44659918998586 H -4.86511410189941 -5.99115808326264 6.25294792636788 N -4.37592117071877 -2.71606207352078 4.64378867399111 93 energy: -132.059936197318 gnorm: 0.002222952479 xtb: 6.5.1 (b24c23e) N -3.58073983743060 -3.53757660214287 2.04350842110555 C -3.09125517588354 -4.43650339381085 1.01542082389806 C -2.60944087617996 -5.74551779686239 1.64528752147169 N -3.49602297128342 -6.12924327346272 2.72955869416588 C -4.75792957618894 -6.67205565662647 2.25491748091131 C -5.84165017839215 -6.44627884874926 3.31084848240946 N -5.70409970284268 -5.11506244342150 3.87277681657027 Mo -3.99161292475811 -4.18923167313193 3.83113302547758 N -2.50842916328023 -4.87111502803906 4.89552821752059 C -1.91377922767890 -6.16000733326096 4.59722525968410 C -2.85121595782848 -6.98365065595169 3.71101346466912 H -1.72645818490730 -6.74177001773396 5.51020542236811 H -0.93783540535922 -6.03434328142977 4.09259256861960 H -3.62646038544738 -7.41632811462328 4.34918539078191 H -2.29949317419628 -7.81197975694527 3.23415355568097 H -6.81853109204362 -6.58038589168518 2.82762431711667 H -5.76898134729516 -7.21784838519933 4.09865028940836 H -5.04511569585782 -6.12547988609368 1.35087872408653 H -4.67319481943921 -7.74255136649234 2.00093894947404 H -2.24594908296590 -3.99898858555427 0.46718022052291 H -3.88234965835610 -4.64505040008167 0.27089588291456 H -1.61294412314222 -5.57638734104696 2.06192233967427 H -2.53305301312773 -6.53706055690447 0.88007242405516 C -3.85994386968128 -1.84485660176650 0.19455926760237 C -3.57473696557952 -2.13183816751633 1.67411783423251 C -2.26236388750625 -1.42374717397803 2.13929818916303 C -1.02146578594998 -2.13722147256305 1.71346897297753 C -0.50630204055680 -3.15127190673007 2.51847041756127 C 0.60607235431673 -3.87107227574214 2.12495511706964 C 1.24030817785454 -3.59345306937577 0.91760558504733 C 2.45233254319188 -4.35989947712426 0.50607228055194 Cl 3.93574007213208 -3.58538056894577 1.20402089489164 C 0.74699035522294 -2.56089795362449 0.12708576107265 C -0.36830108588375 -1.84327224372093 0.51989095012230 C -7.85222442496757 -5.42929322798632 5.13854887741460 C -6.95917643972184 -4.51778310913956 4.28768637292918 C -7.73048404353748 -3.98347519006241 3.04993363087653 C -8.92044691631114 -3.16815278803319 3.44731018529061 C -10.20933308246621 -3.68023783228744 3.34609574859260 C -11.30211796036622 -2.93660358217106 3.75098444650328 C -11.13148731200091 -1.65663987312890 4.26553921146946 C -12.30920485044359 -0.86422457900659 4.72704291734697 Cl -12.63531543420753 -1.20955560197102 6.47572774352657 C -9.84207833332157 -1.14146361286717 4.36850489864503 C -8.75186760201220 -1.88657012915834 3.96249995384886 C -0.52646052355156 -4.51075945588470 6.42403173643567 C -1.99448274203477 -4.21745022670471 6.09109249433000 C -2.91219934035621 -4.49310484087376 7.32343176010726 C -3.15201369593096 -5.95004644693009 7.53982141561607 C -2.32700177581112 -6.72092456532541 8.35328209721690 C -2.51507739656356 -8.08712911461030 8.46068665335346 C -3.54511008175439 -8.71603576829651 7.76994403179353 C -3.71865236993829 -10.19659560433453 7.83862405172644 Cl -2.88604289944909 -10.96895168851720 6.42669818573017 C -4.39342211458849 -7.94263383608093 6.98277083623731 C -4.20185500668314 -6.57799370149993 6.87232132607207 H -4.76074025872594 -2.36638423240695 -0.12370162327397 H -4.02449308038285 -0.77780236335204 0.06474614329746 H -3.03396422197411 -2.14341762396859 -0.44575525757179 H -4.37646969766507 -1.67234083633430 2.26627354831301 H -2.27094343259709 -0.40239669855391 1.75584877576797 H -2.31190148386400 -1.40070782706941 3.23160074151681 H -1.00332569715916 -3.36271758457835 3.46016494798376 H 1.00020758285342 -4.65472914761721 2.75803817934114 H 2.59626339562168 -4.35670658417968 -0.57295501851084 H 2.44617629463802 -5.37929756058138 0.88884912316923 H 1.24292260875083 -2.31843626869969 -0.80174670385201 H -0.73397206542978 -1.04219600491266 -0.10589186136696 H -8.68458308560274 -4.84941996449420 5.52968158097192 H -8.25721998807136 -6.25766204048717 4.56130508743777 H -7.28977633657186 -5.82799100884770 5.98005943923411 H -6.67516277161675 -3.64896988406995 4.89204824498962 H -7.01679495788126 -3.36843755688236 2.48891315108951 H -8.05112128639818 -4.81988284748402 2.42431672715051 H -10.36086617275802 -4.67290593104922 2.94643692742580 H -12.29708516940216 -3.35165936539348 3.67007050790019 H -12.13448438848800 0.20896709012589 4.66439605963390 H -13.22162415032620 -1.13704313769443 4.19855163652971 H -9.69543658079063 -0.14955771871784 4.77101559548277 H -7.75346750518468 -1.48106715434520 4.04630151546054 H -0.20360754925816 -3.84173125791927 7.21810575644540 H 0.10524421540689 -4.33045811434404 5.55689358762238 H -0.38013965885325 -5.53393985404415 6.75928778324256 H -2.08596088466852 -3.13996375451331 5.90078202080225 H -3.85865809362092 -3.98965120707837 7.10520108765595 H -2.45375523064639 -4.03894336792637 8.20312932647608 H -1.52735177724011 -6.24761150525531 8.90435461402608 H -1.85692994449081 -8.67278489590438 9.08616077227912 H -4.76332045399742 -10.49578111655844 7.76489516995621 H -3.25770132440935 -10.62611253708563 8.72673111214458 H -5.20715813993135 -8.42425377050707 6.45749231967316 H -4.85836056725541 -5.96742759135184 6.25819927065215 N -4.37653408967865 -2.73085180068671 4.64871557297889 93 energy: -132.060026018869 gnorm: 0.001563431849 xtb: 6.5.1 (b24c23e) N -3.58116087097712 -3.54707778107046 2.04504712702043 C -3.08287973094173 -4.44140002316228 1.01781269089758 C -2.59888838349541 -5.74943056356911 1.64851533420729 N -3.48942950214319 -6.13652088413418 2.72800626025686 C -4.74949434986252 -6.67759930798534 2.24757606838440 C -5.83583268005664 -6.45720135066018 3.30228808117265 N -5.69976182131146 -5.12895825068450 3.87030020550888 Mo -3.98857589760337 -4.20104234817616 3.83236252696786 N -2.50172544073732 -4.88014194334247 4.89330354415690 C -1.91030227031384 -6.17067063101402 4.59754904683588 C -2.84896705151186 -6.99231230011549 3.71073283498891 H -1.72568995227046 -6.75231663503981 5.51136162313451 H -0.93324218887230 -6.04851806937476 4.09400376562979 H -3.62646603725991 -7.42160579411717 4.34855127081972 H -2.29918176471575 -7.82309252717562 3.23558432867935 H -6.81163696479670 -6.58994138849458 2.81633587709140 H -5.76402334801583 -7.23261595720845 4.08640919633903 H -5.03513814760563 -6.12652991827444 1.34588636059339 H -4.66373905249606 -7.74668998905346 1.98820500187820 H -2.23708505668553 -3.99928771056611 0.47402442652777 H -3.86911936345057 -4.65250337397212 0.26894024010563 H -1.60499548146562 -5.57673875485623 2.06996959563645 H -2.51574522983194 -6.54007729522065 0.88302487668126 C -3.88364389195180 -1.85956154282330 0.19650523915007 C -3.58847828322021 -2.14191616031110 1.67507660676125 C -2.28031815825377 -1.42086852259358 2.13253130247624 C -1.03444746858035 -2.12740526284827 1.70933075986049 C -0.51367385103690 -3.13592724160757 2.51773750599192 C 0.60347900217126 -3.84996711937870 2.12702381480459 C 1.23734311801147 -3.57113289651497 0.91979203406782 C 2.45414233022635 -4.33146175021613 0.51147799280643 Cl 3.93193450377654 -3.55241587873420 1.21689023708052 C 0.73853781460203 -2.54351866807584 0.12611178836346 C -0.38193830126110 -1.83222158547539 0.51563591571162 C -7.84675144157820 -5.45241019007588 5.13601532102963 C -6.95480805286157 -4.53477678276086 4.28994699916276 C -7.72747122896569 -3.99286669060109 3.05623914302416 C -8.91390333843637 -3.17331794078900 3.45619440320328 C -10.20616736828391 -3.67293643387148 3.33946411086452 C -11.29627789223310 -2.92225778224595 3.73878715701788 C -11.11975257881702 -1.64762046398049 4.26421334049415 C -12.29435009992578 -0.84648210162546 4.71698882116473 Cl -12.64218818225513 -1.19719930253405 6.46145921692977 C -9.82669304043504 -1.14597396069870 4.38524697205017 C -8.73925514493871 -1.89782748894697 3.98421049259561 C -0.51081994658692 -4.51774908251774 6.40843174909064 C -1.98065082058662 -4.22287708083199 6.08338450779877 C -2.89047867554199 -4.49269736523238 7.32306075624974 C -3.14251981679325 -5.94752743341138 7.54003950117478 C -2.32164512218511 -6.72665361760425 8.35008761185474 C -2.52572389109577 -8.09009927520066 8.46159432346816 C -3.56762652242668 -8.70801393780157 7.77825082023508 C -3.75981291920767 -10.18531066486089 7.85305210297295 Cl -2.92382171920311 -10.97466218434778 6.45123883402280 C -4.40957832884640 -7.92649296532424 6.99239462228319 C -4.20219624405873 -6.56438596991761 6.87786906838923 H -4.78071513290265 -2.39051015248083 -0.11656536217425 H -4.05955220448543 -0.79456252049744 0.06642719306937 H -3.05762507680228 -2.15108452654826 -0.44701732655799 H -4.39134524620311 -1.68928376495938 2.27079873778379 H -2.29773794809696 -0.40241368846765 1.74201005705339 H -2.32715840794011 -1.39044106037356 3.22467373019833 H -1.01048010703642 -3.34845478406400 3.45929367152441 H 1.00174402918732 -4.62963515891896 2.76247630461820 H 2.60251647111677 -4.32530440595008 -0.56681664422684 H 2.45083571006591 -5.35163935187062 0.89229294783466 H 1.23424699758937 -2.30029075919737 -0.80263089625208 H -0.75239955345953 -1.03539344541912 -0.11281760644896 H -8.68096085707371 -4.87592945549469 5.52794278303104 H -8.24860250902679 -6.27962169148132 4.55454400376248 H -7.28406815813905 -5.85311025358385 5.97683742314668 H -6.67027536631922 -3.66995849332177 4.89965715973531 H -7.01259700109752 -3.37779710854457 2.49655353712344 H -8.05205687790705 -4.82553156679847 2.42764532184622 H -10.36315929630608 -4.66100619429388 2.93074845730749 H -12.29396497701049 -3.32726076160699 3.64386679008058 H -12.10887666044142 0.22515179174620 4.66302479421887 H -13.20409384080816 -1.10760091245169 4.17849009976499 H -9.67490432329030 -0.15882993571921 4.79745222910604 H -7.73848632115406 -1.50151743272407 4.08087168189807 H -0.18140781707871 -3.84521147567106 7.19658836941890 H 0.11558911051417 -4.34388825624758 5.53605811569021 H -0.36551504561538 -5.53976185799816 6.74833905464769 H -2.07145691300654 -3.14578498384904 5.89000804519906 H -3.83461718753813 -3.98113241482732 7.11424380667046 H -2.42056598035141 -4.04397405861413 8.19934112887602 H -1.51317462804753 -6.26187139693571 8.89565133446301 H -1.87132647818736 -8.68256402838214 9.08468528120133 H -4.80682251854895 -10.47278851999267 7.77069681877481 H -3.31131939981048 -10.61651553588142 8.74642284718999 H -5.23198776208455 -8.39878521407397 6.47211716673003 H -4.85449763968200 -5.94770237314087 6.26506019647623 N -4.37690693583458 -2.74441111031108 4.65111339157119 93 energy: -132.060112370590 gnorm: 0.001748583445 xtb: 6.5.1 (b24c23e) N -3.58180585926984 -3.56043137718770 2.04565284279775 C -3.07587072898328 -4.44972538761494 1.01884254408894 C -2.58729921463966 -5.75560070846027 1.65070092019026 N -3.48073209425164 -6.14678917567831 2.72611328593948 C -4.73847862719077 -6.68816398668526 2.24074432326861 C -5.82780246916317 -6.47146080008195 3.29342297643422 N -5.69436053323433 -5.14500208335608 3.86458296372128 Mo -3.98434690974771 -4.21649087562345 3.83274972146775 N -2.49301706675690 -4.89181044440247 4.88955461373182 C -1.90341509796359 -6.18327471198662 4.59617892250539 C -2.84272721910440 -7.00374929080824 3.70905020729885 H -1.72035534984773 -6.76468091799154 5.51078791420778 H -0.92548652051686 -6.06339327654683 4.09328459246467 H -3.62117389518871 -7.43146903051505 4.34679608390313 H -2.29420685007170 -7.83538740889348 3.23403704503585 H -6.80250584479492 -6.60494009389236 2.80485733319852 H -5.75614215591601 -7.24888302194680 4.07573357514173 H -5.02285502929429 -6.13542593638452 1.33999081757950 H -4.65031923751219 -7.75622658921611 1.97907221353410 H -2.23121126320289 -4.00242735252004 0.47742400525374 H -3.85844278298559 -4.66493363237885 0.26729528979022 H -1.59619178766504 -5.57713489144282 2.07628530323648 H -2.49667950704283 -6.54601783994733 0.88598863822159 C -3.91256817709946 -1.87763280889557 0.19998205807748 C -3.60499248068130 -2.15619502119881 1.67666159382953 C -2.30207409619609 -1.42050605573095 2.12612004325828 C -1.04971369320255 -2.11716973817728 1.70556350702459 C -0.51904748505402 -3.11707001346013 2.51852722224503 C 0.60569240394063 -3.82124236354205 2.13133106108027 C 1.23711992623183 -3.54068310585408 0.92315586799142 C 2.45968815366772 -4.29252324335794 0.51634657352715 Cl 3.93251002691616 -3.50906146112388 1.22807404209194 C 0.72857529604514 -2.52100800112203 0.12520050744351 C -0.39941193122837 -1.81968701928057 0.51116949790598 C -7.83844190585260 -5.47882502906532 5.13221265504747 C -6.94896992155681 -4.55429302306488 4.29023061921045 C -7.72524670497528 -4.00367037458593 3.06256184832633 C -8.90749152136490 -3.17951199263354 3.46685157149108 C -10.20359626743340 -3.66358451524747 3.33269058719994 C -11.28996495836604 -2.90356655404748 3.72507269403091 C -11.10604453806609 -1.63507959852436 4.26259547832776 C -12.27566661424513 -0.82269233615876 4.70604160810702 Cl -12.64875045857588 -1.18093619636863 6.44489126383553 C -9.80891581069058 -1.15052857874371 4.40468949045977 C -8.72543328584893 -1.91120587704654 4.00952312092213 C -0.49330533060800 -4.52380095466571 6.39014289989894 C -1.96544250455200 -4.22999073345808 6.07327030671231 C -2.86595859448669 -4.49419433937293 7.32133797674522 C -3.13246247236889 -5.94624307514569 7.53922682023713 C -2.31598822273991 -6.73521204791996 8.34456466317561 C -2.54012576928332 -8.09469882387668 8.46248106011786 C -3.59781166709770 -8.69857712447180 7.79037059428741 C -3.81170232676347 -10.17163908046730 7.87164768633027 Cl -2.97201695965222 -10.97823432565584 6.48056936895276 C -4.43313320563266 -7.90741802469029 7.00719237000744 C -4.20533284457691 -6.54916217352002 6.88569562582469 H -4.80562941313214 -2.41884931975874 -0.10687174243056 H -4.10128690696687 -0.81499092962279 0.07095724875747 H -3.08733092846340 -2.16100056483745 -0.44831716458714 H -4.40875060542255 -1.71233136090385 2.27745116617728 H -2.33027190010134 -0.40519656342038 1.72881334922603 H -2.34646179656284 -1.38298488240810 3.21800556241898 H -1.01435053958838 -3.33104353678928 3.46054903391567 H 1.01197365811801 -4.59383484773135 2.77049108494829 H 2.61099276987010 -4.28179132628978 -0.56143257864068 H 2.46048766289309 -5.31410562010478 0.89368780559496 H 1.22270709923033 -2.27662682513531 -0.80412845675499 H -0.77770311672119 -1.02913607373230 -0.12070717158953 H -8.67407568147491 -4.90680442482956 5.52707607019972 H -8.23745400550133 -6.30451537434283 4.54689132234811 H -7.27331538995083 -5.88177286241035 5.97043159443300 H -6.66340981089652 -3.69390369712553 4.90529198392657 H -7.01030660696082 -3.38784193843259 2.50346678842551 H -8.05435143309133 -4.83200209158649 2.43075645073357 H -10.36775666904090 -4.64627524487736 2.91394789058256 H -12.29062079356268 -3.29602457853145 3.61352457802588 H -12.07622882807022 0.24656785844524 4.66323471796359 H -13.18239342643412 -1.06818604683796 4.15564280031064 H -9.65081751469486 -0.16887274519475 4.82727000521830 H -7.72206501113936 -1.52625987229597 4.12181694323395 H -0.15833995124983 -3.84769547926880 7.17245494859566 H 0.12693018063701 -4.35462873090948 5.51276890929474 H -0.34652942068969 -5.54437387395359 6.73345449994148 H -2.05763792906751 -3.15342631330938 5.87689837121016 H -3.80729699713290 -3.97327870539487 7.12364802724083 H -2.38283459870407 -4.05214019910498 8.19346191955954 H -1.49590257523118 -6.28103894979190 8.88179784315073 H -1.88974071772537 -8.69552209328459 9.08204885044744 H -4.86107578013251 -10.44580949707643 7.77903299759708 H -3.37787299322616 -10.60554427614180 8.77052253201193 H -5.26753853284654 -8.36797999927181 6.49548299819401 H -4.85254186860408 -5.92482729758865 6.27487238110048 N -4.37611164263416 -2.76191427208580 4.65272602250266 93 energy: -132.060136538709 gnorm: 0.000691809207 xtb: 6.5.1 (b24c23e) N -3.58288738725197 -3.56131217149052 2.04533558728074 C -3.07860260848791 -4.45157588054047 1.01799233731856 C -2.58868992618141 -5.75663241218763 1.64983398540941 N -3.48046989853175 -6.14807492038061 2.72682912996149 C -4.73838955528454 -6.69135228127840 2.24321258676408 C -5.82768338796073 -6.47265041419505 3.29537807887992 N -5.69444950336209 -5.14487148451732 3.86478174151145 Mo -3.98395667999698 -4.21722133326119 3.83282046454102 N -2.49172234132439 -4.89191268168457 4.88892194024714 C -1.90101708281499 -6.18320514686453 4.59532668005271 C -2.84001915452854 -7.00454451382398 3.70877848446096 H -1.71726432513256 -6.76406439265708 5.51016103114801 H -0.92328391691114 -6.06238613186943 4.09218755925337 H -3.61729058413952 -7.43408221320790 4.34670761912595 H -2.29094817911515 -7.83474632678027 3.23234768308356 H -6.80233380447745 -6.60653927543765 2.80667098933814 H -5.75657732671328 -7.24870167648473 4.07938827923997 H -5.02289565877260 -6.14128701637939 1.34078956338206 H -4.64954457876908 -7.76008489866359 1.98450325817874 H -2.23470339709900 -4.00440609402960 0.47493161245081 H -3.86257165822058 -4.66724732410146 0.26786235836755 H -1.59720439727363 -5.57751482613916 2.07407657175967 H -2.49884500571420 -6.54746776024813 0.88560057105218 C -3.91272748763192 -1.87795298757435 0.19977784391775 C -3.60571630567981 -2.15708831038457 1.67632734685695 C -2.30274872491811 -1.42243665920236 2.12726079536123 C -1.05029194834213 -2.11831081684636 1.70620954425087 C -0.51780476277715 -3.11725279733039 2.51902075413026 C 0.60815927581006 -3.81898301622082 2.13191633425414 C 1.23862003309970 -3.53782921616907 0.92328371705052 C 2.46220251442122 -4.28772756822247 0.51556462111327 Cl 3.93467403100032 -3.50279817216377 1.22642497136835 C 0.72770192069885 -2.51984735854285 0.12502874588026 C -0.40113398807668 -1.82036605344507 0.51138996101076 C -7.83890712958917 -5.47746506084058 5.13168821622879 C -6.94908926541631 -4.55372520343713 4.28960041371488 C -7.72506737253583 -4.00417858314004 3.06147797626421 C -8.90700835525006 -3.17966781326566 3.46603276309391 C -10.20339748016610 -3.66315830413395 3.33212452495203 C -11.28916132317284 -2.90274238987126 3.72542026204261 C -11.10417909581315 -1.63424148417421 4.26264686385644 C -12.27334535362618 -0.82140349715545 4.70741087821519 Cl -12.64700316298701 -1.18161839938089 6.44484383172777 C -9.80685207793724 -1.15029988620613 4.40445852400496 C -8.72397676349864 -1.91140596908896 4.00864260082378 C -0.49323075847070 -4.52210791662406 6.39101490763154 C -1.96532267588813 -4.22998415159904 6.07325076109232 C -2.86698832728935 -4.49519239920921 7.32021737616391 C -3.13354626740880 -5.94719105637289 7.53783567085066 C -2.31720051445041 -6.73619862644347 8.34305737124613 C -2.54182792922471 -8.09538164124222 8.46173344799822 C -3.59999876635341 -8.69865949816272 7.79063512077785 C -3.81406736461785 -10.17203892235170 7.87220136840951 Cl -2.97603803292126 -10.97929713222576 6.48119934294505 C -4.43557035525801 -7.90742291953038 7.00769767421248 C -4.20684287158076 -6.54979628906641 6.88495498562732 H -4.80630168681714 -2.41835794348041 -0.10732909292049 H -4.10052522348266 -0.81497983180802 0.07065821575388 H -3.08778473102736 -2.16194085463735 -0.44868120379956 H -4.40955137103589 -1.71290085176707 2.27670829963193 H -2.33055756877853 -0.40639459015610 1.73160184603184 H -2.34786641637727 -1.38674624190654 3.21919905640371 H -1.01237197460164 -3.33173424641000 3.46132779733471 H 1.01622553294662 -4.59023596562031 2.77133505149849 H 2.61238205355690 -4.27655281175612 -0.56253438594505 H 2.46461743382761 -5.30944426484307 0.89236451603650 H 1.22069009149735 -2.27516371729517 -0.80486626963186 H -0.78097649458778 -1.03076050678129 -0.12058971108353 H -8.67387891040298 -4.90483913863017 5.52733060700044 H -8.23935913376087 -6.30215933750487 4.54591373044896 H -7.27411641008057 -5.88160760642142 5.96941174008568 H -6.66371366240844 -3.69269846833679 4.90405499638231 H -7.01031141181753 -3.38893720865707 2.50138510888524 H -8.05461535668857 -4.83290868664769 2.43035106785218 H -10.36805132425592 -4.64609117033837 2.91401895631779 H -12.29001286016153 -3.29502152005852 3.61504933128406 H -12.07308203648740 0.24772623957248 4.66510826119053 H -13.17993873660336 -1.06566503034201 4.15638344088661 H -9.64822873942397 -0.16860854627428 4.82697410212272 H -7.72036463358603 -1.52704116114612 4.12016841598583 H -0.16039460924488 -3.84647173933292 7.17517347519169 H 0.12814094080214 -4.35018834598767 5.51443804369133 H -0.34506157497379 -5.54339119269630 6.73284298452069 H -2.05835056049102 -3.15339533257230 5.87720060265677 H -3.80800076651760 -3.97429166943750 7.12153473874189 H -2.38491143028195 -4.05313846613321 8.19298286518448 H -1.49680992644461 -6.28223494771716 8.87965293596809 H -1.89132379358543 -8.69625067764956 9.08105071914806 H -4.86389155590515 -10.44576507812966 7.78130383924112 H -3.37983772448631 -10.60573003400981 8.77114821666508 H -5.27043087214043 -8.36789037707054 6.49708218935937 H -4.85382104288370 -5.92511987776202 6.27441384051351 N -4.37493846938915 -2.76264252437921 4.65320204150233 93 energy: -132.060190503793 gnorm: 0.001930169277 xtb: 6.5.1 (b24c23e) N -3.58783818060700 -3.56539136516088 2.04412527168634 C -3.08912660041887 -4.45818904588042 1.01543678371918 C -2.59393455989581 -5.76065066375954 1.64724810004996 N -3.47953454967168 -6.15312762545574 2.72982088475075 C -4.73770316992403 -6.70363354987897 2.25301264767039 C -5.82676623316958 -6.47746872365341 3.30349144975420 N -5.69402237062702 -5.14547979615147 3.86543092830353 Mo -3.98280816666613 -4.21983635717839 3.83322249475338 N -2.48733405808398 -4.89196541147264 4.88644692922221 C -1.89256941820057 -6.18213952883609 4.59286602764285 C -2.83004068275506 -7.00735391144666 3.70845174129815 H -1.70569247488660 -6.76099709097267 5.50831324624195 H -0.91597271554721 -6.05783486039654 4.08835728474348 H -3.60268593128611 -7.44325693775780 4.34787064931081 H -2.27782445369784 -7.83268469678867 3.22764810809647 H -6.80155895005996 -6.61360181261738 2.81568485597624 H -5.75615700909038 -7.24787151091612 4.09329435099760 H -5.02365064486183 -6.16421617607502 1.34455540225912 H -4.64649456482977 -7.77489108892792 2.00589616614537 H -2.24903457045904 -4.01115091324776 0.46595991249003 H -3.87834171268640 -4.67557339595403 0.27117494010546 H -1.60095967628680 -5.57868971099628 2.06676352957475 H -2.50635188970447 -6.55294043848466 0.88441693298176 C -3.91244315119778 -1.87959428816811 0.19922523888008 C -3.60882409727464 -2.16105735559925 1.67569715766641 C -2.30598677862022 -1.42993229628331 2.13221841078377 C -1.05286144741821 -2.12250216879618 1.70829983265375 C -0.51257293345953 -3.11797907017248 2.52035490019922 C 0.61799454202797 -3.81150790145358 2.13252673022936 C 1.24432832485526 -3.52735109256009 0.92223422843976 C 2.47220801377628 -4.26900658270459 0.51165885157775 Cl 3.94193236089405 -3.47654926419834 1.21953283323255 C 0.72392136901055 -2.51496085081483 0.12330852309486 C -0.40850300344505 -1.82235115369494 0.51155000374801 C -7.84078853041090 -5.47222755856543 5.13034992583706 C -6.94888223837824 -4.55244958187049 4.28665928601269 C -7.72457313163512 -4.00643340346719 3.05713120454900 C -8.90508680324969 -3.17962444368628 3.46155673506286 C -10.20239144809573 -3.66147691410894 3.33090502965926 C -11.28595680726079 -2.89943273147323 3.72721480772226 C -11.09731128257446 -1.63116432097867 4.26356325532625 C -12.26485374229971 -0.81661918047898 4.71205805660752 Cl -12.63996510484185 -1.18338301483631 6.44540225933699 C -9.79916528809024 -1.14893215154072 4.40233598754963 C -8.71850723642038 -1.91156369060280 4.00356100760633 C -0.49345665282000 -4.51627037360323 6.39496190543206 C -1.96530910373117 -4.22972381921306 6.07284404191845 C -2.87085603246349 -4.49827420080133 7.31615692925718 C -3.13748470038769 -5.95034636240306 7.53271223376153 C -2.32105128883604 -6.73954911540685 8.33730220767317 C -2.54742056374740 -8.09836743882474 8.45813800407728 C -3.60792885859032 -8.70023524722965 7.79044720611977 C -3.82444759666060 -10.17384105808152 7.87487708291778 Cl -2.99330828280400 -10.98339545642394 6.48330729325919 C -4.44404815567883 -7.90885360456283 7.00783333737712 C -4.21273402714233 -6.55227284284038 6.88208385093721 H -4.80794365715313 -2.41613697763989 -0.10938937495643 H -4.09613521007807 -0.81562612502519 0.07068282184842 H -3.08833664179407 -2.16594160178879 -0.44930791473200 H -4.41331637683309 -1.71605538301749 2.27464109237158 H -2.33266267249406 -0.41095394183187 1.74369426375002 H -2.35334658005908 -1.40213748173883 3.22440791609039 H -1.00412880550529 -3.33501067200388 3.46366578431607 H 1.03342099837690 -4.57811465566515 2.77270855006047 H 2.61927942498320 -4.25505792517611 -0.56704273315847 H 2.48174243604158 -5.29136891402681 0.88651029971377 H 1.21253390659388 -2.26857837823750 -0.80848140429070 H -0.79456851642033 -1.03579029678610 -0.12036588621831 H -8.67204917423233 -4.89595804603143 5.52905709883185 H -8.24754936668024 -6.29367688335700 4.54418667410712 H -7.27643513297395 -5.88064411210285 5.96608663745943 H -6.66345314690860 -3.68926358572672 4.89840646470588 H -7.01033670248444 -3.39380499456698 2.49346164977720 H -8.05575225470956 -4.83704459059698 2.42919807565382 H -10.36920827473865 -4.64431441793163 2.91334117443360 H -12.28768893203026 -3.29015410544804 3.61953235457959 H -12.06059535850515 0.25197911240977 4.67299921814241 H -13.17105368332454 -1.05533833778199 4.15775949268637 H -9.63832904149138 -0.16757901554570 4.82498765977214 H -7.71380784456581 -1.52974846443495 4.11335877253102 H -0.16772520135435 -3.84385823290858 7.18539945533998 H 0.13142661134707 -4.33442208767965 5.52237739682893 H -0.33962078572596 -5.53910740535246 6.73054852345239 H -2.06131505737058 -3.15327867942800 5.87728884369257 H -3.81145566876887 -3.97820890720588 7.11377162397792 H -2.39305079866433 -4.05635219393744 8.19149415203013 H -1.49932856653627 -6.28601984357528 8.87194251635191 H -1.89678436791308 -8.69928194773709 9.07718743514634 H -4.87560141603447 -10.44543249246817 7.78945464565627 H -3.38829129563254 -10.60615421136498 8.77383926992094 H -5.28129853638745 -8.36906030074212 6.50123553860581 H -4.85902830304370 -5.92658347581888 6.27196599717172 N -4.37183174655665 -2.76497228024601 4.65405691808852 93 energy: -132.060215866276 gnorm: 0.001968884395 xtb: 6.5.1 (b24c23e) N -3.59169483681876 -3.56910753378834 2.04366766794679 C -3.09644851416785 -4.46303054526102 1.01462933082359 C -2.59712029185903 -5.76388961957531 1.64648348417299 N -3.47886685703602 -6.15735422030729 2.73198453630675 C -4.73681574699002 -6.71252014177740 2.25972799859902 C -5.82547838599967 -6.48154516320354 3.30991316558860 N -5.69387160905021 -5.14702489611144 3.86587603052502 Mo -3.98256780623708 -4.22241059437898 3.83371880695768 N -2.48497599170242 -4.89153168393719 4.88557940769097 C -1.88745122178374 -6.18029845098011 4.59194005185480 C -2.82383102130794 -7.00896498491702 3.70931317985448 H -1.69815898656975 -6.75803358193089 5.50753483571145 H -0.91174131582314 -6.05368918710942 4.08622674845679 H -3.59333517858547 -7.44850410072557 4.35007052013801 H -2.26923960980537 -7.83176664131085 3.22686297838652 H -6.80046115144509 -6.62043596911744 2.82344924222827 H -5.75364920636615 -7.24813782873958 4.10315847702029 H -5.02420673292760 -6.18015981192619 1.34766727113290 H -4.64403291479001 -7.78526154013554 2.02004723600179 H -2.25891403358478 -4.01639965837524 0.46108261457806 H -3.88871126863584 -4.68259899009561 0.27422596085015 H -1.60331653745899 -5.57928296943845 2.06309883564706 H -2.50999909525388 -6.55679554286423 0.88424246078909 C -3.91239760266240 -1.88129347024784 0.19885977278737 C -3.61147122444843 -2.16468628952093 1.67549572992792 C -2.30900576582706 -1.43593930558093 2.13603956859763 C -1.05511210833572 -2.12545061289113 1.70894782292710 C -0.50918669703164 -3.11876150787899 2.51980098428752 C 0.62464659123327 -3.80645555095237 2.13079583256330 C 1.24795179529170 -3.51926411261114 0.91969671548635 C 2.47981634918507 -4.25356760472546 0.50773896519279 Cl 3.94554768171887 -3.45363787993418 1.21539239012455 C 0.72063949568522 -2.51033865375259 0.12086095582418 C -0.41435578906255 -1.82295710548890 0.51082259073508 C -7.84193822890252 -5.46911229965008 5.13036259838597 C -6.94856532631409 -4.55223778932503 4.28484299535870 C -7.72368099974742 -4.00877366610950 3.05365997039157 C -8.90275732916929 -3.17990437818592 3.45831484608024 C -10.20095505409354 -3.65979933708447 3.32938536871549 C -11.28285160205405 -2.89613022504950 3.72725248486867 C -11.09158212324377 -1.62830256423754 4.26365605122122 C -12.25728210120676 -0.81246126423552 4.71512523026927 Cl -12.63461863164944 -1.18490381800830 6.44620727607019 C -9.79261989329053 -1.14767084097081 4.39998967539734 C -8.71366191153338 -1.91190600296245 3.99963539370960 C -0.49402243772127 -4.51261616404776 6.39770435270866 C -1.96590313056517 -4.22909990414773 6.07316618833713 C -2.87414758253423 -4.50010174887940 7.31387186524572 C -3.14006935577083 -5.95265149644069 7.52897663777209 C -2.32348755242246 -6.74228580602532 8.33295994887934 C -2.55162793553286 -8.10069908355274 8.45544780114010 C -3.61425963393817 -8.70165318329753 7.79029812033849 C -3.83334043792062 -10.17480484167301 7.87713759332805 Cl -3.00858290021563 -10.98853128726329 6.48475780206122 C -4.44983233676926 -7.91005285132983 7.00741913954059 C -4.21634419394124 -6.55400988477907 6.87949517481069 H -4.80894172041479 -2.41509398721153 -0.11139489702318 H -4.09276530205961 -0.81669700958744 0.07102989531041 H -3.08832090217242 -2.16945101386057 -0.44880836450274 H -4.41671656248150 -1.71939513157450 2.27330752347816 H -2.33569595819482 -0.41490874052364 1.75302270460396 H -2.35719004871597 -1.41417478434617 3.22841286014928 H -0.99788285247205 -3.33776673024512 3.46409070690349 H 1.04505980867860 -4.57046036467485 2.77086561639739 H 2.62606933176194 -4.23787678551535 -0.57099534621148 H 2.49536262753724 -5.27614914888884 0.88179074823633 H 1.20628217151242 -2.26203472413461 -0.81194269515419 H -0.80512200806756 -1.03837744595048 -0.12067291318965 H -8.66987106083986 -4.88948140363104 5.53096491144525 H -8.25337887904936 -6.28874574013122 4.54491131808982 H -7.27742784747697 -5.88005315116271 5.96476808258304 H -6.66265587026821 -3.68778812024492 4.89455960690385 H -7.00933365370817 -3.39812738001259 2.48806934541883 H -8.05625864729235 -4.84053776208942 2.42794968663958 H -10.36980118666878 -4.64274638636573 2.91293822196139 H -12.28526274414056 -3.28592977322501 3.62247732572088 H -12.05026194524716 0.25582034813569 4.68001497675981 H -13.16376337605154 -1.04663777032142 4.15924838640034 H -9.62974972512089 -0.16639368424078 4.82197706724748 H -7.70831898831451 -1.53093690671920 4.10658693855803 H -0.17299334072112 -3.84270750871533 7.19208970242339 H 0.13247159717177 -4.32466662398480 5.52764157286552 H -0.33770201833495 -5.53631209923181 6.72911793685453 H -2.06345230519257 -3.15278254233659 5.87792007462346 H -3.81492108521651 -3.98093837024186 7.10941341005981 H -2.39920679561080 -4.05844522379612 8.19083526509723 H -1.50055760633350 -6.28932867539398 8.86628526180283 H -1.90073460680128 -8.70189501889645 9.07395146311264 H -4.88533990089871 -10.44412073783288 7.79549689637772 H -3.39567250192211 -10.60650618259676 8.77563555012862 H -5.28820475777858 -8.36980500950223 6.50214813730684 H -4.86273753513147 -5.92784635517755 6.26991844304809 N -4.37141951698874 -2.76712286889670 4.65391389524676 93 energy: -132.060238616699 gnorm: 0.001085639854 xtb: 6.5.1 (b24c23e) N -3.59534298504054 -3.57319687386945 2.04340833245744 C -3.10255053744281 -4.46776156221897 1.01452652787301 C -2.59951354383638 -5.76721070675039 1.64695480607861 N -3.47828564058385 -6.16156900743381 2.73434460006631 C -4.73586741657941 -6.72048625737723 2.26588667272729 C -5.82400940561040 -6.48643287936431 3.31648164345753 N -5.69329486530420 -5.15002994756874 3.86684210861297 Mo -3.98292227019058 -4.22451235797900 3.83446671675685 N -2.48375656138717 -4.89093827697776 4.88529565682066 C -1.88365754803042 -6.17814934656940 4.59188965195350 C -2.81916515187871 -7.01022283141440 3.71131207117321 H -1.69175110058536 -6.75510824098876 5.50744365019520 H -0.90893739664127 -6.04975214528078 4.08457315112232 H -3.58607785203804 -7.45164723777310 4.35384094377495 H -2.26262290918523 -7.83179732998421 3.22884019303301 H -6.79941485075359 -6.62875191270507 2.83182033225520 H -5.74972593225835 -7.25001498272231 4.11229907434473 H -5.02511842987775 -6.19334441311844 1.35156388935935 H -4.64208626497932 -7.79423361902630 2.03159193832769 H -2.26725448960263 -4.02150315966934 0.45747853598031 H -3.89699118432944 -4.68982065948992 0.27715410538804 H -1.60532299996761 -5.57981487335862 2.06156046770913 H -2.51177821874550 -6.56049501616103 0.88511598943745 C -3.91225672236570 -1.88382045859839 0.19875464740783 C -3.61422946651260 -2.16860189897972 1.67576000490123 C -2.31227185360218 -1.44169562071503 2.13938767514032 C -1.05765091872284 -2.12797509972993 1.70854605418596 C -0.50650514027865 -3.11977966302012 2.51752060867496 C 0.63008240567370 -3.80211639977846 2.12661470651405 C 1.25080748043249 -3.51081111252786 0.91531548158201 C 2.48727376616101 -4.23696817276535 0.50281575198723 Cl 3.94749885663039 -3.42780855654157 1.21156164757441 C 0.71716394738538 -2.50440367256048 0.11736057885757 C -0.42042750215528 -1.82251103681646 0.50921011473699 C -7.84289180473199 -5.46683628819209 5.13123979650886 C -6.94789269772220 -4.55344122378628 4.28335935107251 C -7.72248615717061 -4.01187167957973 3.05083176651842 C -8.89993218659486 -3.18006542402685 3.45423566238210 C -10.19908906050725 -3.65807818111545 3.32795581284187 C -11.27917335013311 -2.89275726334798 3.72755253244899 C -11.08530876628660 -1.62508367297998 4.26346219934723 C -12.24884489057687 -0.80788414662166 4.71731189931884 Cl -12.62810171060739 -1.18680976821963 6.44712198415244 C -9.78536795194641 -1.14596876757907 4.39633894567238 C -8.70826892157810 -1.91174049640345 3.99384746124988 C -0.49536447003150 -4.50957199528348 6.40083137177890 C -1.96732313739036 -4.22826337370426 6.07383596706267 C -2.87698958171598 -4.50177330155837 7.31278891649416 C -3.14260874089224 -5.95475323676408 7.52646390575700 C -2.32564062680274 -6.74537092624601 8.32923395531905 C -2.55525005982094 -8.10344643606714 8.45228088429162 C -3.61985826831246 -8.70347997293992 7.78902816679193 C -3.84327727099086 -10.17554850591684 7.87978177671376 Cl -3.02595155235760 -10.99497014452733 6.48588446044907 C -4.45444821082598 -7.91123458911480 7.00594865095279 C -4.21951145833584 -6.55531253447478 6.87745989615702 H -4.80960540103180 -2.41514674827409 -0.11312278528346 H -4.08967216667832 -0.81872793438952 0.07172404201664 H -3.08800530869667 -2.17355057604117 -0.44792519103890 H -4.42022664103518 -1.72320620089080 2.27259000431597 H -2.33951457297211 -0.41861325234269 1.76201459305667 H -2.36051785902955 -1.42612250093361 3.23189708545784 H -0.99253338290870 -3.34163132887063 3.46245657321851 H 1.05474811967515 -4.56453107636934 2.76576669729710 H 2.63398343085770 -4.21943739875265 -0.57571856861440 H 2.50941138778351 -5.25968647896819 0.87622621048903 H 1.20028000621043 -2.25349374050639 -0.81602813157975 H -0.81552227629990 -1.03925227296290 -0.12120460797578 H -8.66791384198931 -4.88408147936892 5.53311534408913 H -8.25813297488330 -6.28550837222128 4.54722374878050 H -7.27796325632372 -5.87908330235689 5.96473952213356 H -6.66156838611520 -3.68767248369036 4.89078387213628 H -7.00730811194857 -3.40374203912451 2.48374217249955 H -8.05634926085326 -4.84479560058590 2.42747203062975 H -10.37035184793716 -4.64064282100985 2.91162331959302 H -12.28240216104983 -3.28069853602289 3.62368896416388 H -12.03888449970596 0.25998074784518 4.68736416413684 H -13.15595338940495 -1.03714490999640 4.16035019495006 H -9.62004216039955 -0.16494032224730 4.81787974213121 H -7.70224401723414 -1.53219445876784 4.09969658210588 H -0.17761973553632 -3.84158909679402 7.19788753853798 H 0.13192741156955 -4.31729318418929 5.53259483599612 H -0.33726618464558 -5.53380492632136 6.72910168506299 H -2.06613278550997 -3.15197531616888 5.87913378534958 H -3.81805250989904 -3.98356110328799 7.10693537164628 H -2.40451027295674 -4.06050964478744 8.19121680863916 H -1.50137037633430 -6.29334622327561 8.86136387977303 H -1.90468712929458 -8.70512235655960 9.07069516439639 H -4.89634015754086 -10.44167387874791 7.80204601277511 H -3.40376407616652 -10.60695533215074 8.77746227380708 H -5.29403197004495 -8.36993342429919 6.50153549668473 H -4.86570648475941 -5.92895332908557 6.26782890894300 N -4.37297557939091 -2.76903683917079 4.65366696594920 93 energy: -132.060257710091 gnorm: 0.000647559692 xtb: 6.5.1 (b24c23e) N -3.59810622295022 -3.57710407058735 2.04367044645655 C -3.10630007937149 -4.47202705964717 1.01543064599344 C -2.60074485503236 -5.77048913788338 1.64858720286558 N -3.47797790835918 -6.16552374666578 2.73660601428394 C -4.73525726987211 -6.72645144082473 2.27051529422872 C -5.82263544774208 -6.49115020991762 3.32219962845219 N -5.69327759110051 -5.15372864287721 3.86877506189034 Mo -3.98374416821264 -4.22726287953726 3.83532465965706 N -2.48371870512782 -4.89050585464974 4.88652250023463 C -1.88181620723177 -6.17636438040942 4.59308560016864 C -2.81692616632714 -7.01124264197253 3.71447858996474 H -1.68738777731177 -6.75265540577996 5.50851674476938 H -0.90801305271228 -6.04659493738531 4.08423446602923 H -3.58251215684082 -7.45242110741021 4.35872647690880 H -2.25940675369046 -7.83315045857631 3.23342617821788 H -6.79849415119942 -6.63680379871012 2.83951026033420 H -5.74553310083178 -7.25291362457845 4.11939645622108 H -5.02630576312028 -6.20146331323526 1.35568999346817 H -4.64087661368707 -7.80052823515372 2.03827555332608 H -2.27243352741657 -4.02605509106943 0.45619655228786 H -3.90171383753325 -4.69612429441194 0.27972641498646 H -1.60664618079344 -5.58069601700310 2.06243205111353 H -2.51163390465866 -6.56396211584492 0.88699354977303 C -3.91277125589530 -1.88697572459867 0.19862929094005 C -3.61668034748123 -2.17241168893506 1.67593445678779 C -2.31544448624940 -1.44636721086819 2.14180819808632 C -1.06017941214791 -2.12941074695339 1.70713744498001 C -0.50517250778219 -3.12114027838433 2.51341248913234 C 0.63358882638480 -3.79891696524978 2.12022103261242 C 1.25273579893745 -3.50244115425865 0.90947676425835 C 2.49376957348349 -4.22055593369848 0.49699312506049 Cl 3.94782987668887 -3.40190812312618 1.20788390047378 C 0.71413864001799 -2.49712688729330 0.11327348957749 C -0.42569560628690 -1.82018876033214 0.50720649553233 C -7.84362798432770 -5.46647097934862 5.13293379088226 C -6.94767391850129 -4.55547070480304 4.28328792574190 C -7.72083642976144 -4.01583720788228 3.04876109866848 C -8.89647655011824 -3.18100143055069 3.45097793651791 C -10.19669817532888 -3.65647483918392 3.32612052724922 C -11.27499870644725 -2.88882620931426 3.72597008469976 C -11.07857125349545 -1.62143766175538 4.26173444833341 C -12.23976432553866 -0.80321305320056 4.71837314620979 Cl -12.62093060034525 -1.18893793736698 6.44762835137047 C -9.77758064311025 -1.14433796455946 4.39192281150919 C -8.70225739364906 -1.91233576064272 3.98879145265816 C -0.49677031939566 -4.50716997469597 6.40340377344600 C -1.96909436368301 -4.22760708285371 6.07559761755881 C -2.87950389847123 -4.50300319703974 7.31346667579141 C -3.14427814639878 -5.95660172552297 7.52487507895298 C -2.32718406185092 -6.74851374367063 8.32652254539516 C -2.55868706922809 -8.10625263928114 8.45000161562927 C -3.62519670375125 -8.70518836475858 7.78813956959543 C -3.85307986642329 -10.17599099099879 7.88208820416536 Cl -3.04414683380950 -11.00195020399472 6.48593882674326 C -4.45833941242972 -7.91202875160625 7.00465817241926 C -4.22166315399330 -6.55613865969421 6.87587911122174 H -4.81044651076686 -2.41685675189558 -0.11444856490835 H -4.08823199713669 -0.82163613215289 0.07187615362647 H -3.08813004211037 -2.17781597333815 -0.44695029046487 H -4.42338830690005 -1.72710437808998 2.27190154109399 H -2.34385875986084 -0.42167345733332 1.76911714159494 H -2.36300502046628 -1.43584044906052 3.23444953085780 H -0.98912633998281 -3.34636333032754 3.45860457169927 H 1.06129188057798 -4.56114546669706 2.75761295639531 H 2.64176511765539 -4.20113004605722 -0.58122258684009 H 2.52242423627163 -5.24329411967754 0.86991362600185 H 1.19553838507505 -2.24298790769535 -0.82010288910780 H -0.82445280926827 -1.03750573809446 -0.12164436488104 H -8.66696877836215 -4.88143419602174 5.53464141415037 H -8.26081900921203 -6.28532615644907 4.55063450887114 H -7.27858051860288 -5.87841870117012 5.96657240020578 H -6.66093988086410 -3.68871204837460 4.88895720684900 H -7.00423283124164 -3.41014101587536 2.48087815527244 H -8.05600006593524 -4.84956729060380 2.42720114766833 H -10.37041113612545 -4.63907592784939 2.91092888764691 H -12.27898066994756 -3.27545551373859 3.62432510011082 H -12.02702755867734 0.26417643898345 4.69442700619916 H -13.14776137251278 -1.02738885314275 4.16083745387375 H -9.60976442272540 -0.16314035569469 4.81198111338227 H -7.69566036871254 -1.53346637758231 4.09204030731588 H -0.18079185762414 -3.83979021036421 7.20127399613495 H 0.13077021365126 -4.31331402900727 5.53603839120291 H -0.33772769795449 -5.53124594552853 6.73077386643141 H -2.06903454150862 -3.15136991493911 5.88129699469060 H -3.82113337058833 -3.98553453899341 7.10777910741098 H -2.40807025322404 -4.06258230861380 8.19281186755801 H -1.50196884920727 -6.29752368829664 8.85822564974351 H -1.90824523827199 -8.70885831092508 9.06769728609059 H -4.90719126083358 -10.43859213259305 7.80838992873023 H -3.41154207277527 -10.60759694183271 8.77852275268513 H -5.29855729610903 -8.36945213903230 6.49989912728881 H -4.86797462207805 -5.92938900488582 6.26671144258367 N -4.37542622214856 -2.77122106646707 4.65283626902230 93 energy: -132.060274318540 gnorm: 0.001201484735 xtb: 6.5.1 (b24c23e) N -3.59975720422460 -3.58058676520500 2.04430996090833 C -3.10764270603387 -4.47573383737786 1.01669712408165 C -2.60092919311020 -5.77338037920221 1.65090197457096 N -3.47789736233870 -6.16816208893608 2.73901639858694 C -4.73494727943219 -6.72987730057916 2.27368822892755 C -5.82150289755016 -6.49559904408852 3.32661875845987 N -5.69290288738677 -5.15774422451955 3.87141034722861 Mo -3.98471526010604 -4.22891219842516 3.83670357064546 N -2.48437213341085 -4.89046233313179 4.88827569645293 C -1.88134721196656 -6.17563461448150 4.59498307328584 C -2.81669130519232 -7.01209875864022 3.71813797854591 H -1.68514089782999 -6.75143015435946 5.51034617719012 H -0.90826924338874 -6.04522337049911 4.08479873920365 H -3.58210818058687 -7.45167158807250 4.36369352281362 H -2.25930828992120 -7.83528802498298 3.23892649548185 H -6.79774005250807 -6.64342323381572 2.84534463974502 H -5.74203848502373 -7.25675315282814 4.12419003424482 H -5.02732767227976 -6.20448207146471 1.35951091836539 H -4.64031152676361 -7.80381716020943 2.04083178642464 H -2.27416220645559 -4.02988617552989 0.45681717928783 H -3.90301996404927 -4.70122829227048 0.28132466083842 H -1.60707091157453 -5.58220160629578 2.06473957305850 H -2.51071376106541 -6.56718067164784 0.88969990688756 C -3.91375661264138 -1.89086136551233 0.19853401950161 C -3.61883540961063 -2.17594503608842 1.67613191646318 C -2.31829602626603 -1.44966569006092 2.14282308847153 C -1.06238048590909 -2.12967127937121 1.70510010207344 C -0.50492902652404 -3.12242456088334 2.50835017180521 C 0.63542013848171 -3.79639543035323 2.11298830146701 C 1.25398161165711 -3.49439976509517 0.90333566480524 C 2.49881448021535 -4.20557224579634 0.49062854205836 Cl 3.94756832824049 -3.37897800191252 1.20349762128528 C 0.71208731812315 -2.48893686370888 0.10949935055475 C -0.42956075935495 -1.81624249628905 0.50535830089571 C -7.84449970295085 -5.46772274959175 5.13470669002167 C -6.94756047907296 -4.55871568092742 4.28394123949492 C -7.71926910455371 -4.02022996845570 3.04796735120052 C -8.89323850827340 -3.18211973050506 3.44791556880128 C -10.19441793284548 -3.65539286725724 3.32467870837242 C -11.27095853779232 -2.88559657050996 3.72501287250191 C -11.07195035270865 -1.61810755484501 4.25977520757254 C -12.23092407648813 -0.79842375947860 4.71824431039059 Cl -12.61351294173756 -1.19028307705783 6.44697150894527 C -9.77001043006399 -1.14275652961276 4.38710571503423 C -8.69642720166139 -1.91288322790209 3.98335945274753 C -0.49825068604067 -4.50540997496633 6.40566637470262 C -1.97079867814530 -4.22716262538948 6.07747930116284 C -2.88053064113187 -4.50437764629885 7.31543551262335 C -3.14574533098113 -5.95816087241167 7.52541822753712 C -2.32878870934667 -6.75158347173683 8.32581643907310 C -2.56166179676768 -8.10911705680492 8.44853249939557 C -3.62961179718234 -8.70661297837253 7.78737241885370 C -3.86176097960502 -10.17630817777534 7.88378734493991 Cl -3.06128757266702 -11.00721588315378 6.48469810134831 C -4.46155658338269 -7.91221063631985 7.00400545276151 C -4.22347400044663 -6.55638135505686 6.87590554852421 H -4.81138053126541 -2.42045578315949 -0.11502031583999 H -4.08866802745615 -0.82550783189496 0.07151116616607 H -3.08876959316212 -2.18215040489740 -0.44638596391302 H -4.42611127351043 -1.73090479634052 2.27153955653562 H -2.34835977558335 -0.42391481197419 1.77328579005790 H -2.36506616729905 -1.44249541478474 3.23553968980639 H -0.98794179750242 -3.35139766824716 3.45315362595957 H 1.06484059215407 -4.55966816553999 2.74798622874753 H 2.64779062669243 -4.18435187183398 -0.58737139855766 H 2.53313685451723 -5.22832527032801 0.86292541159791 H 1.19265298249229 -2.23114614656045 -0.82329472734401 H -0.83074446017659 -1.03314412690800 -0.12142880640530 H -8.66789252145395 -4.88173034815953 5.53485238123495 H -8.26137708793255 -6.28777730240601 4.55394744849342 H -7.27988530040012 -5.87802347194426 5.96949539722689 H -6.66099235087842 -3.69112472934602 4.88836702759447 H -7.00096769551257 -3.41709419098912 2.47947548938280 H -8.05556085240976 -4.85466288774470 2.42803175529518 H -10.37033559803075 -4.63794480956526 2.91031526414234 H -12.27574504158416 -3.27024018292907 3.62385947306892 H -12.01567111420391 0.26847516965999 4.69935414157844 H -13.13978321169017 -1.01835509634694 4.16058159027638 H -9.59985015707213 -0.16147293942918 4.80597693183030 H -7.68912894417468 -1.53563712069710 4.08581377951887 H -0.18264279710072 -3.83700161439223 7.20273900549170 H 0.12878424257396 -4.31207110882295 5.53793053743880 H -0.33859141812694 -5.52902624004060 6.73402379455454 H -2.07180006703296 -3.15098520373229 5.88329674864018 H -3.82233540012525 -3.98678134518205 7.11090809385282 H -2.40890674987898 -4.06500942397864 8.19517599014551 H -1.50261762292784 -6.30184374415913 8.85717065125061 H -1.91180598197254 -8.71276488017257 9.06583866330542 H -4.91690710441260 -10.43560617979329 7.81431697406431 H -3.41780422623054 -10.60869565855265 8.77855769679733 H -5.30243383093260 -8.36821569269134 6.49895324693893 H -4.86934537719463 -5.92894571932382 6.26697191663268 N -4.37810610157815 -2.77258581069934 4.65275407382978 93 energy: -132.060294770071 gnorm: 0.001501562495 xtb: 6.5.1 (b24c23e) N -3.60088632272352 -3.58455471613855 2.04539356402939 C -3.10695129570293 -4.47979087177710 1.01870059956115 C -2.60028024079385 -5.77691924425474 1.65411864682881 N -3.47780615575858 -6.17094425562811 2.74194410626116 C -4.73480443961678 -6.73236804341339 2.27640143339374 C -5.82062952968387 -6.50033312069314 3.33050089562051 N -5.69291917987943 -5.16256537065025 3.87543052810364 Mo -3.98579929855107 -4.23179168334728 3.83826859421716 N -2.48550791961888 -4.89109686872549 4.89122949587422 C -1.88193797273459 -6.17607958816716 4.59826619079947 C -2.81771344141664 -7.01346878182066 3.72293448926301 H -1.68434338307162 -6.75111367393875 5.51377495677807 H -0.90949579001207 -6.04543345348243 4.08695995018642 H -3.58377604683633 -7.45030534550920 4.36956100636796 H -2.26130406238112 -7.83864158763366 3.24595296780001 H -6.79721910302459 -6.64949150821362 2.85042154421778 H -5.73913644128432 -7.26173345748581 4.12761471070655 H -5.02826510914866 -6.20451864809206 1.36392310135072 H -4.63991116386188 -7.80570157209858 2.04059598488230 H -2.27323569528214 -4.03351539797991 0.45949171066349 H -3.90130178526625 -4.70600190048585 0.28248746977368 H -1.60675067100074 -5.58520058746162 2.06840384405471 H -2.50928101603649 -6.57128823156192 0.89360744851417 C -3.91569789601069 -1.89645617094422 0.19834247061335 C -3.62120070648226 -2.18009982958789 1.67625471074231 C -2.32162114591457 -1.45233371646586 2.14296954039629 C -1.06485654175654 -2.12876290262184 1.70223895670893 C -0.50543744736828 -3.12369768423100 2.50147135560539 C 0.63640957172414 -3.79356607862094 2.10351025730566 C 1.25507056522582 -3.48443372924444 0.89567229335155 C 2.50363552099839 -4.18835525213690 0.48208196335162 Cl 3.94711184632172 -3.35347978392000 1.19623234714682 C 0.71065287226656 -2.47745714589460 0.10549147516727 C -0.43297490588235 -1.80945692538895 0.50356614504324 C -7.84578670422655 -5.47101374790709 5.13668528569563 C -6.94799029759814 -4.56305955751280 4.28583186408731 C -7.71749148647000 -4.02607035880184 3.04784812678172 C -8.88940767809971 -3.18410727602452 3.44525050180144 C -10.19173915787920 -3.65456035469069 3.32341379050945 C -11.26618036894005 -2.88164947315141 3.72323459126925 C -11.06386264561515 -1.61398350183307 4.25648144936005 C -12.22034628768390 -0.79243840146207 4.71709371303128 Cl -12.60459047417304 -1.19012689883172 6.44502484019854 C -9.76078753723836 -1.14106741169444 4.38130558448007 C -8.68927513864949 -1.91419213303865 3.97777250777014 C -0.49943071831149 -4.50370330502963 6.40765588686272 C -1.97255807033711 -4.22736043836019 6.08038597874758 C -2.88085604282940 -4.50590722989331 7.31919646938664 C -3.14682491298711 -5.95986934771592 7.52715997496604 C -2.33052508258187 -6.75524104377723 8.32635193428600 C -2.56549789991970 -8.11252272426684 8.44826396222979 C -3.63489914158292 -8.70792413130344 7.78745518159354 C -3.87130354115075 -10.17671297465614 7.88509261677328 Cl -3.08155354964251 -11.01107656326340 6.48126620114425 C -4.46561789989696 -7.91168587943246 7.00462798850078 C -4.22552539379661 -6.55609477593643 6.87740111027783 H -4.81284484077185 -2.42686558542157 -0.11519587461193 H -4.09127755086643 -0.83132271773084 0.07044711620119 H -3.09021275605726 -2.18765477289905 -0.44600150875849 H -4.42907295646203 -1.73540053766795 2.27108664479048 H -2.35412631168003 -0.42582689177178 1.77573339598066 H -2.36725031435772 -1.44763844693423 3.23577591408599 H -0.98826979847918 -3.35762425875341 3.44524857437837 H 1.06718719298207 -4.55882927867664 2.73520793781543 H 2.65297515490223 -4.16480361132114 -0.59580827052197 H 2.54420439222384 -5.21127533835530 0.85324648195337 H 1.19094159887655 -2.21469742696961 -0.82606931994389 H -0.83619271906272 -1.02506083525766 -0.12029359902542 H -8.67094088503157 -4.88502629340703 5.53323642464222 H -8.26010331224962 -6.29338417132947 4.55735069946035 H -7.28257461764671 -5.87811733322827 5.97403720814317 H -6.66216633348452 -3.69473210689205 4.88955329914752 H -6.99705149522470 -3.42597940541811 2.47871359223363 H -8.05527649967925 -4.86117193510194 2.42962349772894 H -10.37014218111168 -4.63727360129305 2.91049104619202 H -12.27192556169578 -3.26416623895030 3.62348887431449 H -12.00178268430562 0.27375061890426 4.70312181673228 H -13.12994620761476 -1.00736230061817 4.15877953733365 H -9.58796358599923 -0.15940298965092 4.79819310478661 H -7.68103404594641 -1.53900334708112 4.07868115077997 H -0.18310204998040 -3.83281681095480 7.20236423541560 H 0.12661098539010 -4.31281156461185 5.53864451195313 H -0.33909361211914 -5.52627313974760 6.73895055595839 H -2.07524426106860 -3.15131999965176 5.88633520745840 H -3.82277401152169 -3.98750760245935 7.11726795641510 H -2.40757161097962 -4.06833514536671 8.19897187685736 H -1.50358905900612 -6.30710944865672 8.85790190702737 H -1.91628212385264 -8.71766348715956 9.06479516716512 H -4.92769805795298 -10.43237487497041 7.82138536905924 H -3.42380099071880 -10.61069682687108 8.77729981148988 H -5.30735921298876 -8.36594544051388 6.49942012531721 H -4.87066086556155 -5.92736105978897 6.26904362544544 N -4.38073645073861 -2.77481613719419 4.65251559218381 93 energy: -132.060320542209 gnorm: 0.001313953421 xtb: 6.5.1 (b24c23e) N -3.60172748170061 -3.59008025794987 2.04739407193944 C -3.10462971110985 -4.48531341843062 1.02176953066528 C -2.59884332967298 -5.78192308131892 1.65874539909110 N -3.47763831161499 -6.17398733473411 2.74632964719699 C -4.73440157809904 -6.73486141911977 2.27942902019052 C -5.81960804123977 -6.50648255258967 3.33456914042220 N -5.69284843183664 -5.16895362900181 3.88081353837190 Mo -3.98724962912807 -4.23510207565381 3.84121699126101 N -2.48701377713708 -4.89263229402838 4.89547203097405 C -1.88308728385894 -6.17788818198068 4.60328797146831 C -2.81945775069828 -7.01579285933396 3.72932048072177 H -1.68472841171680 -6.75188719206380 5.51923009159426 H -0.91098270493705 -6.04740352265236 4.09131340288477 H -3.58674440285606 -7.44958878087962 4.37656087136386 H -2.26433577119188 -7.84309594862851 3.25455195487604 H -6.79626834783796 -6.65616301917907 2.85492811581360 H -5.73684295424217 -7.26869585342302 4.13079598278273 H -5.02850797837354 -6.20348705007307 1.36902026248700 H -4.63904458269062 -7.80737494633154 2.03961683849461 H -2.26981737223067 -4.03836002082017 0.46465269788156 H -3.89692661686284 -4.71198143021079 0.28350391760066 H -1.60548025895324 -5.59051835306755 2.07350328765264 H -2.50790841348887 -6.57719218331004 0.89918873000567 C -3.91898661675787 -1.90476037419030 0.19811514962080 C -3.62433815232528 -2.18613125766291 1.67639445530146 C -2.32628324608704 -1.45533648204629 2.14260026396067 C -1.06792015179942 -2.12644280577038 1.69859921112673 C -0.50623787471562 -3.12467188635360 2.49227392656404 C 0.63767852874852 -3.78889757027974 2.09100160062777 C 1.25666386682785 -3.47013711161698 0.88569159136842 C 2.50912715644940 -4.16557854101522 0.46963010060448 Cl 3.94755909664343 -3.32201880809708 1.18380004112239 C 0.70952143249402 -2.46047116003890 0.10087725661259 C -0.43655791704849 -1.79850443772077 0.50200230114297 C -7.84790714484078 -5.47670526526177 5.13862835923389 C -6.94883983173007 -4.56964868488970 4.28831322410225 C -7.71554175359590 -4.03412344230469 3.04804272327873 C -8.88467451532662 -3.18704503785389 3.44228870639794 C -10.18854046176940 -3.65364170643378 3.32216374208674 C -11.26008553983882 -2.87650756044200 3.72147120024820 C -11.05307153517007 -1.60852242009860 4.25224745844290 C -12.20634391827733 -0.78348333937260 4.71455294642602 Cl -12.59359051856944 -1.18670737198848 6.44069775066670 C -9.74852318222250 -1.13899806284862 4.37402810703451 C -8.67985901554392 -1.91636809679023 3.97114975102537 C -0.50040987050226 -4.50188881892785 6.40951651441838 C -1.97431526600845 -4.22797111497505 6.08407938467884 C -2.87999199497639 -4.50831257927500 7.32465297157367 C -3.14820654259386 -5.96211136385600 7.53083636346987 C -2.33313404361029 -6.76011368577792 8.32856222171044 C -2.57096328548056 -8.11709212363312 8.44914134906319 C -3.64242342464639 -8.70923721770794 7.78893528635269 C -3.88328507788455 -10.17736483846398 7.88613139284943 Cl -3.10873896281306 -11.01298781409470 6.47449436977939 C -4.47190891418848 -7.91030944827727 7.00741442278656 C -4.22861673912121 -6.55531401810447 6.88098820780278 H -4.81505586573500 -2.43728977998386 -0.11502397757558 H -4.09660441088568 -0.84011634827953 0.06862793738910 H -3.09272578644113 -2.19518481036194 -0.44561310712204 H -4.43302438477022 -1.74207692067556 2.27053085489302 H -2.36266598085092 -0.42825733540218 1.77724732720202 H -2.37049177633553 -1.45267823563387 3.23550462837380 H -0.98930855109247 -3.36538657061685 3.43439472325369 H 1.06995413506498 -4.55718845528716 2.71800789147664 H 2.65731186509732 -4.13921870792117 -0.60839872274560 H 2.55701974821985 -5.18874743065040 0.83910358181977 H 1.18986768858686 -2.19048914433556 -0.82863156954141 H -0.84206095357517 -1.01194574075336 -0.11768155146139 H -8.67672854125870 -4.89161577375642 5.52907229147415 H -8.25713219124761 -6.30268526078409 4.56074916096819 H -7.28740843342613 -5.87880022510292 5.98024613940642 H -6.66447728129850 -3.70052875455082 4.89163507812407 H -6.99243568193667 -3.43808433314798 2.47786920237222 H -8.05559283137956 -4.86997755679108 2.43207409450698 H -10.37017530056205 -4.63690561126624 2.91193071535254 H -12.26714964619202 -3.25605096445138 3.62373395805007 H -11.98305325513361 0.28171906230372 4.70512218779017 H -13.11651486867093 -0.99230065544523 4.15493859984343 H -9.57225079162713 -0.15678059496744 4.78817815076275 H -7.67023606664680 -1.54429398386968 4.06984825816092 H -0.18260743120313 -3.82692641371817 7.20032277635683 H 0.12378024693538 -4.31490844960657 5.53819362844490 H -0.33890239926464 -5.52287303201645 6.74549791888066 H -2.07930392594821 -3.15220559024345 5.88971097474039 H -3.82169132540391 -3.98809184262275 7.12682810890375 H -2.40353931772698 -4.07332787623305 8.20403809906837 H -1.50484892403423 -6.31438843421985 8.86005366153651 H -1.92267505597555 -8.72428575542633 9.06461894984735 H -4.94122556358181 -10.42887085041233 7.83111061847544 H -3.43003616981496 -10.61428412577359 8.77404078751105 H -5.31509616050086 -8.36224058691653 6.50258376673045 H -4.87275085535645 -5.92436702770599 6.27388729708944 N -4.38368739828525 -2.77740103239444 4.65326923243880 93 energy: -132.060344747673 gnorm: 0.000833464085 xtb: 6.5.1 (b24c23e) N -3.60235893290995 -3.59636749465265 2.04960144700632 C -3.10151555179246 -4.49147925353343 1.02522399537630 C -2.59704555289987 -5.78789376608215 1.66353389291834 N -3.47686903494230 -6.17830243494039 2.75104371199425 C -4.73344360139617 -6.73885036944856 2.28298147034636 C -5.81892414608903 -6.51304640466594 3.33796535697683 N -5.69321369543539 -5.17583019771373 3.88604339581124 Mo -3.98838534582532 -4.24045351449244 3.84385739650010 N -2.48804596005182 -4.89517951594224 4.89979901854793 C -1.88401142803853 -6.18101369558590 4.60917352077362 C -2.82022370362031 -7.01943472846041 3.73578691059448 H -1.68585856281382 -6.75362977885152 5.52599364818042 H -0.91185317506098 -6.05096559041828 4.09729829316455 H -3.58848299015532 -7.45130104931803 4.38310695034674 H -2.26585265685090 -7.84795493942377 3.26251356783743 H -6.79542077302944 -6.66256777231928 2.85801662410450 H -5.73585129955316 -7.27598777505445 4.13341126720778 H -5.02765639871930 -6.20495857703991 1.37400198852181 H -4.63728509705528 -7.81065490234116 2.04015797279792 H -2.26552258319708 -4.04335012386113 0.47069539524145 H -3.89149294131474 -4.71826736324725 0.28458456467355 H -1.60363357853882 -5.59742666426597 2.07844151699285 H -2.50682785398794 -6.58416963291790 0.90506042802435 C -3.92277067417631 -1.91462543702842 0.19807796203002 C -3.62800555968654 -2.19295569388230 1.67687793928706 C -2.33181207257088 -1.45832815790051 2.14240464290594 C -1.07130399818134 -2.12314254804445 1.69527093752844 C -0.50648228734679 -3.12435472692197 2.48309552452593 C 0.63981932265292 -3.78206327723995 2.07827266299382 C 1.25872021432585 -3.45309902646837 0.87555480207958 C 2.51429057279211 -4.14058464726024 0.45548077805995 Cl 3.94935020915619 -3.28955421488246 1.16739549932009 C 0.70854396228219 -2.44041315181927 0.09685594655476 C -0.44042688125784 -1.78544855992891 0.50117810963279 C -7.85060391209928 -5.48353061774600 5.13963395778312 C -6.95008393711023 -4.57675818586989 4.29071690021740 C -7.71417239654934 -4.04289551488487 3.04818631537978 C -8.88009306713385 -3.19033205832049 3.43973336033663 C -10.18564321867001 -3.65281746215031 3.32216607464326 C -11.25391862753381 -2.87077919588039 3.72062690394528 C -11.04152663476922 -1.60223847320186 4.24794886595975 C -12.19141186533795 -0.77255226984391 4.71102753188156 Cl -12.58289164012616 -1.17888786589054 6.43477708652997 C -9.73531601723283 -1.13669946921953 4.36672521435230 C -8.66991968522374 -1.91880919564368 3.96445806411354 C -0.50050728304942 -4.50016016015520 6.41087209771497 C -1.97547049219892 -4.22948750692322 6.08782166670009 C -2.87829752308948 -4.51085681938717 7.33050532043591 C -3.14951167289111 -5.96437286425999 7.53501478713198 C -2.33596557257249 -6.76529042852324 8.33122299836188 C -2.57739957523157 -8.12181404455512 8.45088618480262 C -3.65119564641380 -8.71014769923854 7.79150793194751 C -3.89606062500167 -10.17796773742863 7.88697157194923 Cl -3.13879244320568 -11.01162385058178 6.46545795290598 C -4.47981269282504 -7.90808233236024 7.01209395016232 C -4.23275958913959 -6.55389735390360 6.88628005249906 H -4.81736752704547 -2.45001156739428 -0.11460021530084 H -4.10337130369870 -0.85063913010837 0.06695504900456 H -3.09548171463195 -2.20364232794208 -0.44505360276136 H -4.43780080172988 -1.74979911639833 2.27016158246164 H -2.37282171130197 -0.43072776307116 1.77879655678740 H -2.37478427198958 -1.45765092300941 3.23541929828270 H -0.98972754069558 -3.37260796064996 3.42333198384676 H 1.07419335932053 -4.55314545276818 2.70036456187069 H 2.65963244189583 -4.11128773828329 -0.62293429314257 H 2.56923570422654 -5.16415519017733 0.82282133153654 H 1.18868494046088 -2.16255859781709 -0.83046362104970 H -0.84841098659007 -0.99647285060998 -0.11379474619475 H -8.68364668318588 -4.89967314132446 5.52311196447275 H -8.25383517138558 -6.31334378515740 4.56293710519851 H -7.29346778272151 -5.88023588231777 5.98600946177885 H -6.66752370288682 -3.70689809204211 4.89396059467961 H -6.98859709211469 -3.45120844107536 2.47647290796360 H -8.05709327799678 -4.87943459771983 2.43470981191373 H -10.37098506339013 -4.63640115456697 2.91433778762379 H -12.26248127096589 -3.24682694820478 3.62491872574703 H -11.96241617216058 0.29146478504620 4.70445960686534 H -13.10165915206387 -0.97502652330335 4.14916268255108 H -9.55519117787623 -0.15408291721761 4.77830003154773 H -7.65866558575311 -1.55076065133116 4.06148591848336 H -0.18122834356235 -3.82103449395627 7.19771656719984 H 0.12150568218236 -4.31675393205461 5.53702683481698 H -0.33737329039384 -5.51954603851655 6.75133638712447 H -2.08304564231240 -3.15405346140175 5.89319051664640 H -3.81950863575625 -3.98822272494447 7.13707330133512 H -2.39807141172520 -4.07880322998044 8.20935903671942 H -1.50609239584721 -6.32234663151024 8.86250378547834 H -1.93006817131487 -8.73127359651040 9.06510670753668 H -4.95548231766122 -10.42574349649882 7.84211827835943 H -3.43552564950733 -10.61883440100718 8.76930787486273 H -5.32510634222196 -8.35738246730264 6.50855244108494 H -4.87558029047420 -5.92045823388611 6.28042853133129 N -4.38599747444827 -2.78199023303637 4.65417532474491 93 energy: -132.060364332269 gnorm: 0.000597216028 xtb: 6.5.1 (b24c23e) N -3.60270601255767 -3.60256028937919 2.05203144905867 C -3.09898350425097 -4.49739194912127 1.02848338959071 C -2.59530429201929 -5.79354917158008 1.66777131317656 N -3.47589027538940 -6.18251440277276 2.75537660193712 C -4.73181643565002 -6.74378903190976 2.28607949657398 C -5.81816726273899 -6.51911545415097 3.34013821541813 N -5.69339576141763 -5.18179827660183 3.88890611878708 Mo -3.98929077158633 -4.24478554646114 3.84708221814288 N -2.48840360225704 -4.89819310540265 4.90317931514344 C -1.88428654925876 -6.18466600951266 4.61444997349971 C -2.81986054145422 -7.02349762058838 3.74084209780049 H -1.68733273397441 -6.75614209280241 5.53223433143469 H -0.91147433354504 -6.05543217214884 4.10362546166155 H -3.58864250120244 -7.45528098695791 4.38759683377145 H -2.26512491041745 -7.85195470458813 3.26801139967750 H -6.79405048070385 -6.66835757698839 2.85888108164225 H -5.73604332173497 -7.28222651858027 4.13554471941238 H -5.02542900936803 -6.20977597738255 1.37691752875346 H -4.63470590847960 -7.81548633319269 2.04316411539232 H -2.26197508803349 -4.04843990523893 0.47604686321083 H -3.88704552570805 -4.72443125850083 0.28589855947785 H -1.60172623750919 -5.60390564791235 2.08264602517718 H -2.50592504005460 -6.59044076070385 0.90988460049426 C -3.92619535873488 -1.92345635372849 0.19840379068819 C -3.63113915424900 -2.19971715933236 1.67753652344797 C -2.33717914509969 -1.46107076223896 2.14309154194440 C -1.07431253783419 -2.11959766722919 1.69352978314130 C -0.50604047712936 -3.12268854586163 2.47651771537174 C 0.64253998894222 -3.77433777469899 2.06859423044885 C 1.26050538769859 -3.43720254345972 0.86763826169073 C 2.51777862676512 -4.11888919261830 0.44303279716422 Cl 3.95174694557150 -3.26328530045431 1.15133691485164 C 0.70720763425653 -2.42225158514745 0.09419869116158 C -0.44410332006450 -1.77337479153576 0.50156066450875 C -7.85279264977424 -5.48992211023813 5.13946878634871 C -6.95112759601273 -4.58341213675917 4.29152243587936 C -7.71371761968993 -4.05003761778925 3.04788835254617 C -8.87673987964737 -3.19304651447644 3.43826785461545 C -10.18382121922857 -3.65160721422551 3.32260073371611 C -11.24919629899241 -2.86521006649811 3.72028654996200 C -11.03204529801556 -1.59632066500288 4.24471005842607 C -12.17907661070578 -0.76178376041085 4.70713696511449 Cl -12.57548531655945 -1.16805687031466 6.42869391905957 C -9.72431610725546 -1.13479281806038 4.36175192250534 C -8.66182489672765 -1.92127452884734 3.96040931082581 C -0.49975656527363 -4.49936105026095 6.41117140705437 C -1.97561185130339 -4.23111300017364 6.09022266476305 C -2.87612983687533 -4.51294293892466 7.33465893507515 C -3.15063324874208 -5.96595643156121 7.53855000754715 C -2.33846375524048 -6.76935077144141 8.33352950893641 C -2.58322566113968 -8.12541928162857 8.45271191163167 C -3.65940132356892 -8.71033244869725 7.79452173419515 C -3.90682783624977 -10.17814204611263 7.88733288792246 Cl -3.16439868897645 -11.00809143646291 6.45681199271025 C -4.48744914037870 -7.90551482394218 7.01718076535125 C -4.23663753399628 -6.55216622806298 6.89121905871977 H -4.81915746183958 -2.46171420200749 -0.11413347258363 H -4.10978597709860 -0.86010931075866 0.06591277540823 H -3.09776198353315 -2.21081261848538 -0.44400504551709 H -4.44213017992922 -1.75766086854752 2.26995505913026 H -2.38251149447940 -0.43303916576707 1.78109799913181 H -2.37928634684213 -1.46222133323980 3.23616855966848 H -0.98879361262930 -3.37719885389213 3.41540355165108 H 1.07944066143230 -4.54706416204129 2.68678226625149 H 2.65937776881924 -4.08750398489689 -0.63587996752164 H 2.57792352931721 -5.14277538148090 0.80860523511526 H 1.18685102846332 -2.13765556748234 -0.83132433306823 H -0.85474961369200 -0.98277632457587 -0.10953820990718 H -8.68907850481867 -4.90706605126659 5.51745531009777 H -8.25142594975417 -6.32234542422082 4.56338175441626 H -7.29847509827811 -5.88277590231050 5.98942649389796 H -6.66989152742120 -3.71322539172194 4.89497307865753 H -6.98651508150729 -3.46177523389559 2.47468546354884 H -8.05949457010157 -4.88683483532733 2.43638164120922 H -10.37250643842250 -4.63589989629586 2.91797351619557 H -12.25902329118241 -3.23855889668520 3.62729545294629 H -11.94475997305968 0.30114001790735 4.70138382772602 H -13.08890324959742 -0.95915420753975 4.14265895010705 H -9.54079182262106 -0.15165819198354 4.77060926790828 H -7.64921540907909 -1.55629972277032 4.05490957348297 H -0.17961872143250 -3.81748410461610 7.19531190413192 H 0.12044243552350 -4.31777963197587 5.53558213652970 H -0.33469699324498 -5.51757608321147 6.75437340689632 H -2.08522524790686 -3.15604577193249 5.89481028779632 H -3.81667993318355 -3.98806729709697 7.14459192089089 H -2.39271023235697 -4.08317364940719 8.21289201475206 H -1.50666713557790 -6.32897910448117 8.86392523417690 H -1.93654329160937 -8.73684577993963 9.06565055966174 H -4.96724103475705 -10.42338595436029 7.85145827452758 H -3.43958342924019 -10.62274594328404 8.76431705011306 H -5.33506272001776 -8.35236936457642 6.51542267818619 H -4.87874577178704 -5.91648993171306 6.28696701313054 N -4.38791488302917 -2.78583564541747 4.65579638471335 93 energy: -132.060382309437 gnorm: 0.000806717946 xtb: 6.5.1 (b24c23e) N -3.60275233111254 -3.60828782141887 2.05427580392690 C -3.09679657037120 -4.50293657024752 1.03164687253110 C -2.59336647640573 -5.79899351559842 1.67146150815779 N -3.47431694245184 -6.18799738036903 2.75887826715389 C -4.72956528599378 -6.75053392523007 2.28905154966109 C -5.81764153306339 -6.52477120438437 3.34113549579579 N -5.69389747838382 -5.18722718466192 3.88982490342446 Mo -3.98957891448672 -4.25070385009415 3.84917320877294 N -2.48783027240112 -4.90163888190227 4.90556411742489 C -1.88397431504283 -6.18882358774968 4.61927273146487 C -2.81823474320899 -7.02840076041262 3.74487007809582 H -1.68904513266431 -6.75911067438466 5.53826194949087 H -0.91011203567352 -6.06060573821543 4.11021657700107 H -3.58713471621668 -7.46132298827778 4.39072938022742 H -2.26233860260387 -7.85598937161214 3.27200651951102 H -6.79274887128252 -6.67378542022822 2.85819198715296 H -5.73707035016245 -7.28745082824015 4.13709559509621 H -5.02210427649211 -6.21848305502670 1.37845062044941 H -4.63138143732348 -7.82257628759486 2.04830313367272 H -2.25928318593858 -4.05317281762292 0.48057090886243 H -3.88355605661386 -4.73050030705775 0.28786638847712 H -1.59979107273789 -5.60963752397634 2.08646075807104 H -2.50413006366430 -6.59617328223972 0.91391327116567 C -3.92890756823289 -1.93163134457877 0.19921134705973 C -3.63441689534779 -2.20581269351554 1.67885796875986 C -2.34267285900044 -1.46368209182084 2.14497446427144 C -1.07735338919351 -2.11597826922238 1.69324986375682 C -0.50498522010890 -3.11977212420523 2.47230955155126 C 0.64574430704715 -3.76568521713330 2.06145436695034 C 1.26183529557374 -3.42198601956580 0.86142489015659 C 2.51986058342984 -4.09933270297532 0.43191068165682 Cl 3.95417343453045 -3.24091967082633 1.13582304983912 C 0.70502545287627 -2.40555874514488 0.09250493505438 C -0.44841604251169 -1.76242001110183 0.50279203775987 C -7.85450704820926 -5.49609688186326 5.13818307629794 C -6.95205614020567 -4.58918042757852 4.29148571246620 C -7.71419544140889 -4.05615512721985 3.04738465812266 C -8.87444441867585 -3.19533121054755 3.43768888622403 C -10.18294060782766 -3.65037430542063 3.32435344293752 C -11.24561738630979 -2.85992869249018 3.72131777210079 C -11.02415999957835 -1.59044723765451 4.24241567627562 C -12.16861424021090 -0.75059885176863 4.70254972434003 Cl -12.57051266913992 -1.15403489962193 6.42244578340775 C -9.71499505607699 -1.13271265157051 4.35784301045635 C -8.65522530590105 -1.92321538198754 3.95725131176717 C -0.49811616670867 -4.49925601177799 6.41092766847475 C -1.97467085929442 -4.23299786299744 6.09157999673680 C -2.87356397858921 -4.51427894704269 7.33743365702504 C -3.15145482811684 -5.96671808618145 7.54124991328577 C -2.34034311605470 -6.77237330879780 8.33491980591761 C -2.58822121797903 -8.12793251924161 8.45388521778917 C -3.66683814288877 -8.70973463999664 7.79720072460599 C -3.91634638634910 -10.17757651169455 7.88752921627784 Cl -3.18733861091622 -11.00346649378646 6.44869459131777 C -4.49471778942176 -7.90237822616586 7.02224990081866 C -4.24042493378516 -6.54979596355938 6.89594732823145 H -4.82011426740850 -2.47266594794857 -0.11359109270541 H -4.11551049340572 -0.86892772242157 0.06582963493077 H -3.09914193325935 -2.21705578995947 -0.44239255937315 H -4.44693916534390 -1.76525485825948 2.27034826568434 H -2.39224516512942 -0.43516310154389 1.78489910168526 H -2.38440282228414 -1.46703311833935 3.23809599056805 H -0.98650841764737 -3.37964795038364 3.41036400561642 H 1.08556295080744 -4.53924277199940 2.67642173008529 H 2.65727849755128 -4.06644589527025 -0.64754163857751 H 2.58394671542986 -5.12349014583647 0.79601217436278 H 1.18352933307607 -2.11537077236599 -0.83183812909105 H -0.86187767844881 -0.97066176029883 -0.10486979740293 H -8.69289573310896 -4.91401984749385 5.51261197193905 H -8.25010596792748 -6.33002818286622 4.56219815434156 H -7.30213876230241 -5.88669685804694 5.99034241709334 H -6.67167261420936 -3.71886530286483 4.89522707028926 H -6.98616117425602 -3.47057253735677 2.47253636577269 H -8.06284155721921 -4.89294628451853 2.43748004562818 H -10.37492705478504 -4.63478796835759 2.92162740566833 H -12.25665553511880 -3.23021979343640 3.62951047572003 H -11.92945385968200 0.31131525122235 4.69586995375624 H -13.07781305268079 -0.94422820004928 4.13573172527564 H -9.52819237065788 -0.14962289462477 4.76528468265247 H -7.64135476493679 -1.56167363060784 4.05114912225103 H -0.17777712544256 -3.81617488391537 7.19396289142917 H 0.12062945267555 -4.31772907820307 5.53424461691875 H -0.33146329129027 -5.51699333658527 6.75479780529677 H -2.08537687937003 -3.15826778250710 5.89514340001692 H -3.81331338695819 -3.98723184930761 7.14964085525549 H -2.38758421802634 -4.08629389975745 8.21511664872846 H -1.50658130426213 -6.33438081108138 8.86416856468995 H -1.94213261072996 -8.74110784861093 9.06568059527660 H -4.97749377857694 -10.42082435552776 7.85976474181701 H -3.44296769239468 -10.62564835468889 8.75944953500577 H -5.34461111542351 -8.34687971486342 6.52231430530064 H -4.88190010829868 -5.91229577709852 6.29292140621340 N -4.38908714009115 -2.79160511859653 4.65737370061851 93 energy: -132.060399572849 gnorm: 0.000885638692 xtb: 6.5.1 (b24c23e) N -3.60269185444262 -3.61452738530777 2.05693766014899 C -3.09500193556885 -4.50873958866106 1.03497742741341 C -2.59101066274443 -5.80427745503663 1.67553463229353 N -3.47248461633300 -6.19403068089661 2.76232485805148 C -4.72659871278252 -6.75860496556324 2.29176341564895 C -5.81698790143761 -6.53087681075493 3.34124328074372 N -5.69418067032027 -5.19289879778550 3.88892385998839 Mo -3.98987672237564 -4.25637144273771 3.85189945980487 N -2.48664957383028 -4.90564194598540 4.90721599655147 C -1.88314199189941 -6.19359502883482 4.62387161095094 C -2.81601767776554 -7.03385652171850 3.74855562610615 H -1.69067987709075 -6.76284160744824 5.54411005264201 H -0.90804722125854 -6.06684160532861 4.11676005390264 H -3.58486103454136 -7.46825781237547 4.39353530612575 H -2.25858686778636 -7.86043212820536 3.27568233956839 H -6.79105937562875 -6.67998168047625 2.85610252905271 H -5.73839474327993 -7.29276440463380 4.13820142102006 H -5.01767389185886 -6.22995492760083 1.37876885117752 H -4.62731711738975 -7.83137141629806 2.05484152809246 H -2.25733779292614 -4.05833043397409 0.48456557532941 H -3.88085910791499 -4.73732195155084 0.29052164991207 H -1.59785352314792 -5.61427690961071 2.09129232038683 H -2.50064284863060 -6.60135533256442 0.91800870911077 C -3.93110805394723 -1.93948313543349 0.20067183421440 C -3.63743875436012 -2.21235112020120 1.68071673457679 C -2.34860737268581 -1.46624760766368 2.14837027918059 C -1.08086910813696 -2.11220242380866 1.69433569420444 C -0.50383392183402 -3.11600121910875 2.46987518767520 C 0.64882106223776 -3.75642186719894 2.05583510286240 C 1.26216260590737 -3.40710328027575 0.85605248153299 C 2.52068446310096 -4.08054089785027 0.42160364621974 Cl 3.95570403686353 -3.21963990948935 1.12093900012975 C 0.70134200190827 -2.38975210336729 0.09127805120653 C -0.45397447622187 -1.75212331958761 0.50475334424710 C -7.85559481346801 -5.50273849249411 5.13626099431717 C -6.95280254266824 -4.59550427329795 4.29024698288280 C -7.71528708357218 -4.06164464906281 3.04668448833234 C -8.87279955132771 -3.19734248471601 3.43781440638846 C -10.18277928460883 -3.64853521801469 3.32623057073907 C -11.24282969405832 -2.85388745873212 3.72194916567352 C -11.01720071928875 -1.58401635666518 4.24020811785150 C -12.15913163201519 -0.73864099580752 4.69697794641530 Cl -12.56702230062865 -1.13699506543392 6.41611323143386 C -9.70649134519792 -1.13070699512385 4.35536214496029 C -8.64938475730530 -1.92534859782121 3.95588278963900 C -0.49575217039339 -4.50022304554322 6.41017620833482 C -1.97284294024257 -4.23523615498562 6.09196320147755 C -2.87062405096051 -4.51473302854254 7.33904073596974 C -3.15181607685926 -5.96656339340587 7.54299483295707 C -2.34148144533058 -6.77445769997103 8.33519656465830 C -2.59247753655137 -8.12945909055160 8.45414262770909 C -3.67361059425285 -8.70833673238420 7.79908747256465 C -3.92558619271330 -10.17598982401129 7.88773311979552 Cl -3.20946961521584 -10.99898186193838 6.44129325111607 C -4.50126398409903 -7.89854235929058 7.02644749243419 C -4.24369871794616 -6.54660436406257 6.89985624737577 H -4.82037159452366 -2.48322431471605 -0.11297479469153 H -4.12061431076531 -0.87737832351395 0.06662858788022 H -3.09970251572691 -2.22280895640883 -0.43973059382573 H -4.45183293485073 -1.77366489993332 2.27102537456431 H -2.40235091179822 -0.43697842034745 1.79096367097563 H -2.39023573033248 -1.47267792283145 3.24150960549916 H -0.98332913470448 -3.38069050153995 3.40759109526718 H 1.09220891446522 -4.53005258941541 2.66808986938284 H 2.65407340567654 -4.04621896698543 -0.65831882800717 H 2.58838861404768 -5.10502084332059 0.78429433687780 H 1.17799517940281 -2.09477738133455 -0.83248538429610 H -0.87075987339297 -0.95975659755074 -0.09982323463210 H -8.69501512120724 -4.92112744123696 5.50903801115091 H -8.24956724514275 -6.33722208865092 4.55998280571842 H -7.30423289360972 -5.89253053590044 5.98939637933904 H -6.67279796198324 -3.72542058473824 4.89445095758818 H -6.98680154023377 -3.47825997647841 2.47024068311080 H -8.06689729324818 -4.89809329450541 2.43805440326607 H -10.37814773252080 -4.63327359000565 2.92590598969989 H -12.25503592415609 -3.22146391076980 3.63191772516391 H -11.91514804105851 0.32223757246673 4.68862528953142 H -13.06764218684636 -0.92906157480519 4.12784024963724 H -9.51638032691101 -0.14732049725577 4.76060291038564 H -7.63437175627520 -1.56664135062482 4.04843295789404 H -0.17562166487275 -3.81730276955529 7.19340068913633 H 0.12209141381662 -4.31734116375823 5.53313765706299 H -0.32771371986980 -5.51800147347697 6.75317708360884 H -2.08408270208839 -3.16085326509645 5.89412279731444 H -3.80946960900370 -3.98563240725662 7.15263307957506 H -2.38256584577107 -4.08811124657630 8.21622694396559 H -1.50562851601323 -6.33876466458330 8.86303094771860 H -1.94666261269732 -8.74444469084109 9.06441287348391 H -4.98744065779098 -10.41706065490924 7.86758091189402 H -3.44650729387728 -10.62724567933024 8.75487125708461 H -5.35367685845782 -8.34055209139927 6.52858163285180 H -4.88483702804143 -5.90745538662081 6.29815988345993 N -4.39065770282931 -2.79752665697520 4.65983206228418 93 energy: -132.060416797178 gnorm: 0.000726155123 xtb: 6.5.1 (b24c23e) N -3.60253622812718 -3.62105678254298 2.06018083054878 C -3.09296123974143 -4.51493596620802 1.03917126276390 C -2.58780448140676 -5.80973899400797 1.68045954664537 N -3.47031273563141 -6.20125499013880 2.76575800657533 C -4.72302905447897 -6.76781027245084 2.29398426404675 C -5.81617449397139 -6.53768289066814 3.34047147010292 N -5.69458548573981 -5.19934225848818 3.88711429833600 Mo -3.98997264106190 -4.26355287511692 3.85469452007929 N -2.48471511042790 -4.91013411514187 4.90879872583102 C -1.88212482224671 -6.19908283042846 4.62862200241291 C -2.81388148644344 -7.04016486801225 3.75267911149794 H -1.69230192933362 -6.76714464933763 5.55018408529356 H -0.90565703777822 -6.07422699732850 4.12365233722109 H -3.58296475311183 -7.47536274950577 4.39691069451350 H -2.25523889376474 -7.86626532794863 3.28028200638888 H -6.78896760427348 -6.68689004668559 2.85272195089574 H -5.74007180400214 -7.29879159031431 4.13846625057745 H -5.01212086393702 -6.24289954704953 1.37828188508132 H -4.62262595770874 -7.84136440567124 2.06129517982346 H -2.25543739110848 -4.06386456363516 0.48905883769867 H -3.87795456592118 -4.74510213052972 0.29426912723808 H -1.59571884752288 -5.61790729036969 2.09799921370370 H -2.49458321245959 -6.60651094137767 0.92290006332067 C -3.93298912760979 -1.94766242320669 0.20276111312681 C -3.64124657200235 -2.21910304755122 1.68344499088973 C -2.35558711265087 -1.46918658636418 2.15339887716530 C -1.08519443458282 -2.10801551186459 1.69665674990130 C -0.50299721898753 -3.11161939297590 2.46848280964641 C 0.65143856827678 -3.74643793611230 2.05070835979377 C 1.26117809759243 -3.39172455688448 0.85068713175804 C 2.52033112691752 -4.06073120158599 0.41118483520130 Cl 3.95548913921876 -3.19678716228662 1.10654088041539 C 0.69556060864108 -2.37394735996526 0.08999506663295 C -0.46126516039621 -1.74170455350939 0.50738844423708 C -7.85618073525687 -5.51089354384106 5.13392635180937 C -6.95351578725139 -4.60259230918989 4.28891406168633 C -7.71682519769535 -4.06770889865139 3.04622492192204 C -8.87130184717134 -3.19961271536420 3.43851296024439 C -10.18293283957268 -3.64640731196126 3.32853258819692 C -11.24012971835300 -2.84715540825821 3.72275300517155 C -11.01010066810069 -1.57672419808465 4.23773458825878 C -12.14917186610185 -0.72495428888466 4.68978799186910 Cl -12.56322276775541 -1.11626714543098 6.40910363050675 C -9.69767249276900 -1.12825678972329 4.35247768552475 C -8.64342565614081 -1.92762474269300 3.95474483752649 C -0.49255618633105 -4.50227848977640 6.40911692993440 C -1.96983920979935 -4.23724266312726 6.09170442444200 C -2.86683971806238 -4.51440942010854 7.33989609900313 C -3.15184147441312 -5.96543282864421 7.54441305190306 C -2.34203575073201 -6.77581901574090 8.33467221522918 C -2.59610260430552 -8.13027479442672 8.45317348809484 C -3.68025737828427 -8.70599827787292 7.80018220531787 C -3.93556679416517 -10.17310549054497 7.88786548749131 Cl -3.23290176318283 -10.99505313003780 6.43429597221717 C -4.50751856577023 -7.89359267453809 7.02990841392425 C -4.24643535697378 -6.54227474623202 6.90305611186377 H -4.81995144452882 -2.49428403022707 -0.11231820217828 H -4.12554434236271 -0.88621988684559 0.06806838919793 H -3.09949971757747 -2.22863454421556 -0.43597207984785 H -4.45808634825000 -1.78287034708148 2.27227445500718 H -2.41396587904109 -0.43904268530498 1.79937885486892 H -2.39720338088771 -1.47941115131344 3.24651695667512 H -0.97974480738990 -3.38100073730551 3.40622058434913 H 1.09872027284664 -4.52008169958402 2.66006265180409 H 2.64986698562951 -4.02486765573017 -0.66914125485890 H 2.59204939615504 -5.08544437616078 0.77250471558344 H 1.16978163800289 -2.07429137003561 -0.83352041123578 H -0.88189980543741 -0.94894383714203 -0.09401139425977 H -8.69584701154327 -4.92969920505420 5.50669702343721 H -8.24965227011213 -6.34511994904363 4.55691705223637 H -7.30497965109070 -5.90109899261406 5.98699824027295 H -6.67360014060037 -3.73301262807250 4.89386980544223 H -6.98806372965397 -3.48639398174119 2.46809896093312 H -8.07175375143999 -4.90352246340881 2.43864098847521 H -10.38207795897310 -4.63119483870735 2.93021391786831 H -12.25366223048529 -3.21118896024499 3.63321169775386 H -11.90040219133221 0.33481364238253 4.67892511497989 H -13.05721150302298 -0.91286372582507 4.11908469487339 H -9.50385475862591 -0.14504242123183 4.75633797964824 H -7.62716744642901 -1.57241658569194 4.04721520564121 H -0.17256461590242 -3.82039844682036 7.19321498379455 H 0.12471962775151 -4.31764167721967 5.53210746784639 H -0.32370912692645 -5.52043095037619 6.75043321748976 H -2.08065646944747 -3.16321856030059 5.89169273318134 H -3.80457481143630 -3.98306707574112 7.15437905192258 H -2.37683411637895 -4.08887692523692 8.21647749869362 H -1.50384227022962 -6.34255555158061 8.86082861854155 H -1.95060223899026 -8.74725697435865 9.06177247277042 H -4.99815728842369 -10.41137993269913 7.87535431191382 H -3.45094609536017 -10.62747575226869 8.75021874034863 H -5.36229911614446 -8.33289844834068 6.53368432668323 H -4.88733590791045 -5.90134238135242 6.30286813275304 N -4.39241239050010 -2.80516419508056 4.66265054591088 93 energy: -132.060432559599 gnorm: 0.000472827961 xtb: 6.5.1 (b24c23e) N -3.60254476049647 -3.62818372799886 2.06377681623520 C -3.09060402944191 -4.52136002536333 1.04367571668613 C -2.58385782224072 -5.81487649559209 1.68639234193380 N -3.46801790939671 -6.20871469140464 2.76944348458669 C -4.71913816272337 -6.77705721766829 2.29576850312189 C -5.81549070108521 -6.54519958339873 3.33883217861113 N -5.69485530537227 -5.20686766506903 3.88520641438237 Mo -3.99020189182793 -4.27121870263995 3.85787646593690 N -2.48220517378953 -4.91515717994974 4.90995623187101 C -1.88089915181745 -6.20533880228710 4.63334545295653 C -2.81232953569552 -7.04677593464366 3.75740534100282 H -1.69362866640248 -6.77220031575774 5.55625004423379 H -0.90330042853182 -6.08293050933349 4.12993481564982 H -3.58197472634548 -7.48137802608933 4.40143765644199 H -2.25334422695298 -7.87339613290886 3.28618678323966 H -6.78698235311297 -6.69424276815614 2.84827795672470 H -5.74186679787448 -7.30603839816218 4.13733856136330 H -5.00612724447949 -6.25513178518047 1.37781969036990 H -4.61766869605492 -7.85118940401302 2.06637437069234 H -2.25332008172387 -4.06933389099441 0.49393030336463 H -3.87461078615031 -4.75348300377249 0.29830060060639 H -1.59340396489175 -5.62036424111471 2.10662937577638 H -2.48636578768198 -6.61126885380578 0.92892913258264 C -3.93469291289393 -1.95622731750952 0.20548346213508 C -3.64529642193472 -2.22640721918824 1.68678989788657 C -2.36348054984014 -1.47204759773800 2.15969579418052 C -1.09078834437288 -2.10382914945679 1.69969076982145 C -0.50302835228739 -3.10710385588679 2.46765235379087 C 0.65293876020523 -3.73638182852711 2.04567283535070 C 1.25868785078448 -3.37615365967706 0.84528743097559 C 2.51884442231771 -4.03997996966790 0.40090174157972 Cl 3.95305877980825 -3.17197819625910 1.09328255261683 C 0.68795804370032 -2.35802557346060 0.08886121836302 C -0.47046805030277 -1.73146668619843 0.51039583521356 C -7.85650831166131 -5.52081512084508 5.13169831129056 C -6.95425095307024 -4.61114960897893 4.28773608751209 C -7.71842081916342 -4.07452507594058 3.04633905578989 C -8.86963815440597 -3.20225985667831 3.43956220150400 C -10.18306663108735 -3.64405714765595 3.33068271473575 C -11.23721817895323 -2.83959511702440 3.72258013931289 C -11.00244842663608 -1.56875323925791 4.23443995232167 C -12.13829732745369 -0.71014579685797 4.68122701119509 Cl -12.55804153233708 -1.09268959876843 6.40167448380711 C -9.68811649219437 -1.12596749470217 4.34976570057353 C -8.63695380881580 -1.93045043742418 3.95412172293068 C -0.48839732934646 -4.50534065958447 6.40789257534839 C -1.96578177229410 -4.24007392993638 6.09101483013744 C -2.86224434381111 -4.51309017273712 7.34051535426668 C -3.15111142585392 -5.96330794645132 7.54517793588846 C -2.34195875392583 -6.77649161075956 8.33332898839632 C -2.59957152646764 -8.13028583652615 8.45145541151846 C -3.68668381982710 -8.70262543095129 7.80025202746195 C -3.94633925396581 -10.16886329684002 7.88793451009639 Cl -3.25694675053392 -10.99137585199352 6.42807451002302 C -4.51321000963198 -7.88737284127397 7.03225171781783 C -4.24861043221541 -6.53662519250119 6.90563018695102 H -4.81916625237113 -2.50574236386341 -0.11149261710305 H -4.13028231054548 -0.89544249532116 0.07018677823111 H -3.09880326167556 -2.23472247614223 -0.43118088460894 H -4.46491668882923 -1.79298550702398 2.27385885622577 H -2.42664544967734 -0.44077662631404 1.80978519648811 H -2.40524444667263 -1.48699382256295 3.25277866472724 H -0.97666055019050 -3.38118457381533 3.40554800020628 H 1.10435076127834 -4.51004577762009 2.65191852615961 H 2.64514927450864 -4.00196691621911 -0.67971128290022 H 2.59525953431246 -5.06499950903596 0.76046234078393 H 1.15896834567386 -2.05416107540419 -0.83491247701003 H -0.89517969676025 -0.93833291036761 -0.08763571202043 H -8.69591480585304 -4.94017624952572 5.50590361854130 H -8.25023383907596 -6.35395086769609 4.55329971727306 H -7.30483409040812 -5.91264094171463 5.98376235690445 H -6.67445229552863 -3.74228244341331 4.89369163415006 H -6.98920104417020 -3.49547808896252 2.46655624933804 H -8.07687056698262 -4.90957075600371 2.43979947030552 H -10.38627260290700 -4.62879746471884 2.93431385305774 H -12.25218519010889 -3.19975110309340 3.63337049131953 H -11.88457242016066 0.34839370954160 4.66709878708354 H -13.04620207593280 -0.89591242892646 4.10963698198377 H -9.49033310255197 -0.14261153288079 4.75139903629621 H -7.61937272977528 -1.57899832410896 4.04657774744365 H -0.16825945702998 -3.82474218028789 7.19303645572876 H 0.12861398122012 -4.31934933157019 5.53100402445878 H -0.31964848831036 -5.52401135776741 6.74748495159990 H -2.07548018837779 -3.16641353763164 5.88869475085377 H -3.79866797611690 -3.97923174571541 7.15553048321930 H -2.37023181093530 -4.08865815724476 8.21651098471749 H -1.50145998315556 -6.34583175500606 8.85795362556194 H -1.95428986331957 -8.74956746600427 9.05796379919266 H -5.00969848595579 -10.40365970312470 7.88253453506399 H -3.45692344272756 -10.62618250968909 8.74591646903236 H -5.37032707293783 -8.32376149956577 6.53741458458924 H -4.88880535471966 -5.89380531798415 6.30656903381165 N -4.39474732069180 -2.81371022062522 4.66637141014982 93 energy: -132.060444784180 gnorm: 0.000426283821 xtb: 6.5.1 (b24c23e) N -3.60304178166871 -3.63402982177660 2.06719189270982 C -3.08847161954145 -4.52654174797508 1.04798724628004 C -2.58028087094235 -5.81890775078266 1.69178424553995 N -3.46632014950828 -6.21465112469250 2.77250627958249 C -4.71599522060343 -6.78391268797144 2.29640107104022 C -5.81472682804023 -6.55180181636202 3.33710459236057 N -5.69499928911659 -5.21383488596163 3.88434111393024 Mo -3.99042341672971 -4.27801491091569 3.86096231961142 N -2.47957249682284 -4.91915476129379 4.91105233673743 C -1.87991264989657 -6.21055333223191 4.63687029715146 C -2.81194503800025 -7.05212502739056 3.76165577041358 H -1.69402188215691 -6.77635889958388 5.56070806802858 H -0.90174211583237 -6.09032039735729 4.13403782343950 H -3.58253694043671 -7.48469305702529 4.40598871830381 H -2.25386290813676 -7.88028365553706 3.29188575062794 H -6.78505594700976 -6.70021933145637 2.84404417836419 H -5.74346331948125 -7.31311932945488 4.13540508678496 H -5.00115724190759 -6.26308335327432 1.37731647812775 H -4.61358815316723 -7.85820949839180 2.06825966574900 H -2.25141506891513 -4.07348881313754 0.49877019294517 H -3.87123358389620 -4.76047405401197 0.30189619644252 H -1.59161437687637 -5.62155246567305 2.11488024860477 H -2.47834059611557 -6.61505736332975 0.93458501933812 C -3.93635934927929 -1.96318281223648 0.20809335837571 C -3.64954217214552 -2.23240165974079 1.69002890828946 C -2.37083908702721 -1.47472051688932 2.16572522214801 C -1.09611813426127 -2.10030058003907 1.70301923854146 C -0.50399044815858 -3.10364518627927 2.46746329212961 C 0.65289388648825 -3.72864516284729 2.04167572950660 C 1.25513658119583 -3.36382940367563 0.84090825656840 C 2.51674630726036 -4.02237512685456 0.39294917760818 Cl 3.94898497517998 -3.15007564123640 1.08417090004008 C 0.67991338274092 -2.34567168889810 0.08792582544859 C -0.47930928120240 -1.72332894601026 0.51336047933246 C -7.85661620412299 -5.53058073692101 5.13009960025617 C -6.95482426269944 -4.61913131853479 4.28758898058527 C -7.71942945477382 -4.08115008421545 3.04706582988892 C -8.86774345238322 -3.20508250799770 3.44070615640767 C -10.18275559662180 -3.64218071847873 3.33193882054392 C -11.23424486618303 -2.83308811893045 3.72153054037932 C -10.99529625507199 -1.56199752937485 4.23086723509708 C -12.12819998324558 -0.69753361237383 4.67320674030547 Cl -12.55113423587947 -1.07147884708933 6.39540459068242 C -9.67930891538698 -1.12421542746953 4.34687789367355 C -8.63080548535621 -1.93343099899765 3.95376394823900 C -0.48438057302924 -4.50905129359145 6.40665909531212 C -1.96146103069764 -4.24168646306756 6.09002381299584 C -2.85754207951459 -4.51141540952465 7.34054351785553 C -3.15023429848347 -5.96073696056488 7.54580187268811 C -2.34175710551983 -6.77642004302709 8.33211262155912 C -2.60225336753236 -8.12970954059202 8.44942175637297 C -3.69187605141785 -8.69900566225880 7.79957904389729 C -3.95585824170979 -10.16431605756450 7.88777099656634 Cl -3.27628049178717 -10.98881846595229 6.42414366046592 C -4.51730243052723 -7.88128500717434 7.03305093115933 C -4.24963350453516 -6.53103086777631 6.90686407776110 H -4.81867696923257 -2.51501482828894 -0.11076160560683 H -4.13429353831596 -0.90293913098532 0.07217374839553 H -3.09833393199860 -2.23970963792964 -0.42659613264849 H -4.47172809686222 -1.80149814772683 2.27541718142147 H -2.43796919315742 -0.44252262058504 1.81947885560276 H -2.41272661303453 -1.49374916578940 3.25872573992657 H -0.97496233235107 -3.38152161419471 3.40552397671727 H 1.10765800323031 -4.50250606175642 2.64517897474605 H 2.64102196049543 -3.98202303432843 -0.68779189912061 H 2.59764981639318 -5.04770205409629 0.75066194847545 H 1.14828061121436 -2.03814967442598 -0.83601107728979 H -0.90765194477469 -0.93013874049893 -0.08199658381830 H -8.69539287060489 -4.95048617236414 5.50655546694273 H -8.25118884280911 -6.36215775756335 4.54998707052716 H -7.30422485395068 -5.92474633107574 5.98066847059671 H -6.67529798388228 -3.75104888381731 4.89476767364087 H -6.98953093950806 -3.50418537721704 2.46607240541324 H -8.08093790859640 -4.91542814314172 2.44128337178674 H -10.38945398376111 -4.62679549970989 2.93707236330586 H -12.25049299232619 -3.18957795693840 3.63196995518598 H -11.87050210612896 0.35994525511340 4.65552876070053 H -13.03644179791479 -0.88210494472909 4.10181575058037 H -9.47809726212675 -0.14098993135817 4.74709194167478 H -7.61202562674121 -1.58549381620997 4.04658912508535 H -0.16353729735905 -3.82920491821774 7.19207096928146 H 0.13269600844282 -4.32312610901015 5.52987853269221 H -0.31633325678586 -5.52799808216723 6.74570941336176 H -2.06962569631730 -3.16826912646080 5.88533930305897 H -3.79262480678595 -3.97515981310028 7.15588172818567 H -2.36373798545246 -4.08782562307098 8.21588666553010 H -1.49928670764662 -6.34809077465146 8.85551487074164 H -1.95753291108374 -8.75098689564036 9.05447893327997 H -5.01993386780855 -10.39563437364837 7.88731880698076 H -3.46368146747204 -10.62369643680554 8.74296445604726 H -5.37620837126546 -8.31515958185336 6.53903614922113 H -4.88914651527386 -5.88636096092822 6.30890967073236 N -4.39694700797738 -2.82125755302853 4.66978631586990 93 energy: -132.060455266516 gnorm: 0.000501419433 xtb: 6.5.1 (b24c23e) N -3.60415796429673 -3.63914780484384 2.07011211082965 C -3.08674932570514 -4.53065419868615 1.05150300565135 C -2.57722730030004 -5.82180996192106 1.69650995718690 N -3.46509939808193 -6.21913988217516 2.77505671102234 C -4.71356329004308 -6.78882766588400 2.29648187291897 C -5.81421201822894 -6.55790442808322 3.33541749230269 N -5.69497660333959 -5.22072746317780 3.88466945275385 Mo -3.99083937894652 -4.28391407501406 3.86378464931125 N -2.47694288948506 -4.92269282557232 4.91153434758153 C -1.87880479989645 -6.21513674328800 4.63912887333636 C -2.81244512269767 -7.05632266686772 3.76541827600809 H -1.69347248776787 -6.78009504026266 5.56358483005281 H -0.90054407701995 -6.09689085001461 4.13599389927770 H -3.58411364686961 -7.48591842585572 4.41052816409039 H -2.25605396477667 -7.88658377579130 3.29725358112815 H -6.78370937196525 -6.70527518235708 2.84037401187490 H -5.74464560611070 -7.32041977438989 4.13272092894132 H -4.99748705981053 -6.26751221490196 1.37732735544263 H -4.61026342148852 -7.86291714297108 2.06772288121995 H -2.24975046174561 -4.07629253185461 0.50330533385571 H -3.86813391010732 -4.76604610313208 0.30443635196051 H -1.59017164987770 -5.62198134283307 2.12214465748956 H -2.47141540819350 -6.61779928966970 0.93968665464499 C -3.93836041368604 -1.96899814748570 0.21068032249295 C -3.65378764581483 -2.23761857883178 1.69309339981170 C -2.37794519624753 -1.47709400617244 2.17158096386643 C -1.10193908278972 -2.09784501978654 1.70620150676362 C -0.50593043792028 -3.10118042453280 2.46762330373914 C 0.65189137172372 -3.72229709314804 2.03862321130415 C 1.25120311559935 -3.35333116950627 0.83764637750030 C 2.51425811163529 -4.00685007943518 0.38672571029492 Cl 3.94380412867354 -3.13046828052158 1.07833621067194 C 0.67200453853125 -2.33527360783072 0.08760672428656 C -0.48821995420702 -1.71691354505507 0.51619794946158 C -7.85687282674140 -5.54035090916231 5.12919800719880 C -6.95534223771816 -4.62719481894994 4.28826982240527 C -7.71969676283380 -4.08785163392737 3.04826340829535 C -8.86537136296597 -3.20807431948105 3.44146440716097 C -10.18178705223567 -3.64078643152470 3.33230429268648 C -11.23082935983743 -2.82745012347591 3.71968099796394 C -10.98797756603250 -1.55631208513197 4.22706853449308 C -12.11808288279171 -0.68654634868803 4.66567042145664 Cl -12.54209953000007 -1.05216622796456 6.38987529494382 C -9.67051512308882 -1.12316402638225 4.34403351002677 C -8.62447341615370 -1.93663384816904 3.95323519650095 C -0.48005900375752 -4.51286824995559 6.40537470743029 C -1.95685854758580 -4.24384271922906 6.08886705431161 C -2.85277625191270 -4.50926775128790 7.34046546124905 C -3.14883086428464 -5.95780069777832 7.54586288494715 C -2.34146439324448 -6.77575103528449 8.33097662509735 C -2.60503665996324 -8.12848166246637 8.44787218323192 C -3.69661601421269 -8.69493843666087 7.79876134759663 C -3.96466133970965 -10.15940365522850 7.88746468288740 Cl -3.29166465210845 -10.98671897596850 6.42228494927755 C -4.52067832043354 -7.87495863747005 7.03318470299215 C -4.24998669776714 -6.52522169570653 6.90732917339716 H -4.81894930471576 -2.52254824294346 -0.10990073312456 H -4.13803151015746 -0.90914953012909 0.07436296940516 H -3.09856479345187 -2.24393099828207 -0.42232557243814 H -4.47815299376586 -1.80897028519344 2.27706585072869 H -2.44831449832026 -0.44400544876681 1.82872723528166 H -2.42004015649120 -1.50000761027113 3.26451221525463 H -0.97456928505591 -3.38221116248892 3.40585987976314 H 1.10935848966404 -4.49659587423275 2.63950865072897 H 2.63728214047460 -3.96390223572932 -0.69405719062052 H 2.59937999784690 -5.03248596763971 0.74244262568687 H 1.13765793959561 -2.02507050874853 -0.83678381997370 H -0.91962388622300 -0.92359271320015 -0.07674761761704 H -8.69488091399982 -4.96079458987343 5.50823269338031 H -8.25254058464981 -6.37001583119779 4.54707015811103 H -7.30379013250464 -5.93738294402309 5.97803387500820 H -6.67638895593203 -3.75983012545594 4.89670513055571 H -6.98878256627786 -3.51307841927390 2.46634836714229 H -8.08386348941585 -4.92151527100812 2.44325149337362 H -10.39158999786526 -4.62515686454081 2.93848459407025 H -12.24825844585957 -3.18031204887095 3.62915220247429 H -11.85723801171719 0.37004291129694 4.64389204012077 H -13.02709199670490 -0.87079496552894 4.09549328448008 H -9.46625731225551 -0.14007487677413 4.74301882074912 H -7.60454277088095 -1.59230257775115 4.04700551718410 H -0.15792747253022 -3.83307785505962 7.19033970047055 H 0.13721608794755 -4.32870240724589 5.52835808416540 H -0.31381188966674 -5.53184012607024 6.74508135091748 H -2.06294155581760 -3.17063277448482 5.88217192217778 H -3.78655959140614 -3.97069697833240 7.15600875809605 H -2.35719641474799 -4.08654041924374 8.21522780157413 H -1.49752207528038 -6.34960556553887 8.85378153977823 H -1.96101385563978 -8.75162624422230 9.05174972925227 H -5.02938142942538 -10.38734300893010 7.88979643428612 H -3.47166933374969 -10.62028167180409 8.74132454021067 H -5.38066662089697 -8.30668376431731 6.53917289042887 H -4.88843248278062 -5.87878880526659 6.31001079284499 N -4.39918084072678 -2.82805556708276 4.67326304146667 93 energy: -132.060464315075 gnorm: 0.000466472769 xtb: 6.5.1 (b24c23e) N -3.60610548335977 -3.64358629539249 2.07265794535215 C -3.08573533675939 -4.53380427056978 1.05435866712393 C -2.57516196191987 -5.82415013832119 1.69994925826852 N -3.46432995648599 -6.22262164911911 2.77693585315735 C -4.71185413331833 -6.79241595809432 2.29618525732035 C -5.81362671366764 -6.56368964725682 3.33430271176535 N -5.69479000820613 -5.22754283405257 3.88632796946333 Mo -3.99125820187478 -4.28935726047162 3.86636903327620 N -2.47427188129326 -4.92556260330201 4.91182907655297 C -1.87776200529116 -6.21900219029992 4.64041308835589 C -2.81315358194708 -7.05967303980660 3.76827118611738 H -1.69216978013703 -6.78328824683281 5.56522493398433 H -0.89983592838840 -6.10250944787799 4.13625681903657 H -3.58573169665991 -7.48596547651336 4.41449918467915 H -2.25900432711840 -7.89224885184764 3.30148161404546 H -6.78259581361381 -6.70978209368357 2.83787964707336 H -5.74522144859577 -7.32784971220858 4.13012061298493 H -4.99523886440466 -6.26950312472104 1.37775302517857 H -4.60758348544815 -7.86602511921665 2.06546968154846 H -2.24874748138646 -4.07783805957923 0.50750478291574 H -3.86560157250009 -4.77019125140278 0.30607351044677 H -1.58932391868063 -5.62242106779080 2.12735748372394 H -2.46652964932415 -6.62004955316317 0.94346864237937 C -3.94107160916831 -1.97354254552271 0.21333341974130 C -3.65842280179477 -2.24206461054203 1.69607145471473 C -2.38486637774844 -1.47935952395482 2.17691409231066 C -1.10751123706837 -2.09569468811236 1.70950102225132 C -0.50829965509956 -3.09920323688783 2.46817330406081 C 0.65007110169936 -3.71716957164010 2.03627644677536 C 1.24689353715459 -3.34455905472558 0.83520445457102 C 2.51179837222869 -3.99297605766821 0.38218964078078 Cl 3.93853658485695 -3.11283966390671 1.07481469431641 C 0.66422113713090 -2.32665923693363 0.08768125910397 C -0.49661268990198 -1.71151834233377 0.51912274155101 C -7.85744795584319 -5.54977574307683 5.12872093210864 C -6.95572245143494 -4.63504918612371 4.28972768308422 C -7.71912746157108 -4.09474475786572 3.04965579533863 C -8.86234675937796 -3.21141382090392 3.44193774635706 C -10.18004628020265 -3.63984545355008 3.33172836179990 C -11.22680274890497 -2.82241073565385 3.71672180684609 C -10.98019587466608 -1.55150834294119 4.22281891684193 C -12.10772448596351 -0.67729011216139 4.65891014401238 Cl -12.53090475917545 -1.03465302846913 6.38526674427107 C -9.66137572261144 -1.12283222587814 4.34126843840962 C -8.61765393067620 -1.94034365981288 3.95283332348712 C -0.47591050148425 -4.51710652927020 6.40389083116346 C -1.95219340182514 -4.24519795291216 6.08741125810925 C -2.84776800803373 -4.50708959118944 7.34003981317770 C -3.14753258890869 -5.95472111052180 7.54610294025953 C -2.34160018435705 -6.77475466369881 8.33048273748333 C -2.60808299361022 -8.12695272478154 8.44688877715007 C -3.70103406095689 -8.69075050461200 7.79783641920385 C -3.97307109075894 -10.15445003663532 7.88724760869538 Cl -3.30314494357721 -10.98428620503824 6.42222092197246 C -4.52340565186037 -7.86870652434738 7.03264171337075 C -4.25005424802862 -6.51945282216691 6.90749216602747 H -4.82042656342092 -2.52820872880641 -0.10866472885816 H -4.14190537754573 -0.91393236473958 0.07685743932298 H -3.09996832871386 -2.24729899267889 -0.41842950905500 H -4.48461955859080 -1.81537685318151 2.27886789801335 H -2.45797977249763 -0.44541726677307 1.83721332920737 H -2.42728650123441 -1.50581420158988 3.26975544707692 H -0.97514525432627 -3.38317719259456 3.40638724858553 H 1.11018030857101 -4.49150708267170 2.63508364789805 H 2.63411678728808 -3.94720804787120 -0.69855912261885 H 2.60084845032787 -5.01906489861051 0.73559523269455 H 1.12777823658939 -2.01383003781209 -0.83689534652975 H -0.93082970172982 -0.91831737020841 -0.07189893831663 H -8.69471408835899 -4.97064673189645 5.51007829935721 H -8.25417630236905 -6.37753379617634 4.54455876652078 H -7.30401791179194 -5.94969433294951 5.97598814546632 H -6.67767724126111 -3.76829826936820 4.89945453840756 H -6.98677980428196 -3.52227450664456 2.46722167804749 H -8.08561052854987 -4.92787506941047 2.44531939570514 H -10.39266995100186 -4.62393460240188 2.93870554622171 H -12.24530879267054 -3.17198575417271 3.62551455341778 H -11.84428195759576 0.37853840877567 4.63258978114917 H -13.01780040250517 -0.86164640987151 4.09044290320103 H -9.45435440308532 -0.13983781732374 4.73909217751245 H -7.59663038024795 -1.59945760706040 4.04726487078995 H -0.15198967371837 -3.83633803636953 7.18728590981563 H 0.14153116559088 -4.33614324461879 5.52630471047466 H -0.31168456420597 -5.53575322616898 6.74574591065640 H -2.05619607280890 -3.17207236219066 5.87891453582263 H -3.78014836314583 -3.96610708721888 7.15579435523539 H -2.35036324102581 -4.08516203319429 8.21413276956303 H -1.49642487535467 -6.35072250260825 8.85301520280016 H -1.96530372352828 -8.75173835208280 9.05036232745809 H -5.03845489504151 -10.37924935504514 7.89024343619861 H -3.48095469197233 -10.61622887256292 8.74117457709976 H -5.38463013277271 -8.29836591901370 6.53889850754657 H -4.88719633472960 -5.87129468473793 6.31055074766533 N -4.40124458638434 -2.83424964275967 4.67637416236881 93 energy: -132.060472229898 gnorm: 0.000373138215 xtb: 6.5.1 (b24c23e) N -3.60861886189694 -3.64712991871522 2.07466645399294 C -3.08575531300757 -4.53596927535786 1.05629535540755 C -2.57431503148828 -5.82598117396539 1.70176572108973 N -3.46403843723448 -6.22508997521308 2.77804326554703 C -4.71089880144298 -6.79505570757354 2.29583330901391 C -5.81290024535550 -6.56911538603881 3.33415553931988 N -5.69445450247859 -5.23389894861986 3.88880271759758 Mo -3.99183548958474 -4.29372442596082 3.86863046576785 N -2.47200449445445 -4.92805315344003 4.91165989781244 C -1.87653319909416 -6.22202618272965 4.64039096605670 C -2.81376133689599 -7.06219368204134 3.76987194666618 H -1.69036508423314 -6.78594597641951 5.56530039329832 H -0.89900337327015 -6.10652856592402 4.13520124122798 H -3.58689161485767 -7.48607338676156 4.41705771496219 H -2.26142784318849 -7.89638712186037 3.30384570383159 H -6.78166966099102 -6.71419615245756 2.83713365133520 H -5.74481279068277 -7.33489272979896 4.12845186522914 H -4.99448602647182 -6.27026174115450 1.37847656246456 H -4.60560814417452 -7.86809947206766 2.06278682680166 H -2.24869520128872 -4.07840915152329 0.51091706122048 H -3.86426012139275 -4.77273389506995 0.30674975835568 H -1.58898811497412 -5.62335524908658 2.12982669648882 H -2.46451158257634 -6.62173662639358 0.94534398703964 C -3.94468456963488 -1.97665540811948 0.21584041855071 C -3.66303476343620 -2.24555241337590 1.69867563632608 C -2.39115494464365 -1.48146030780448 2.18157328521229 C -1.11291306701126 -2.09444551851100 1.71233250385119 C -0.51094828239438 -3.09790456757764 2.46890783411042 C 0.64844834162197 -3.71264997860714 2.03510534839003 C 1.24342165911639 -3.33690958672614 0.83406135029268 C 2.50967743639701 -3.98126985896748 0.37920526456377 Cl 3.93388577330974 -3.09838026770988 1.07339529759665 C 0.65770937113542 -2.31939182439179 0.08840811924283 C -0.50405290183931 -1.70735744021054 0.52183394317566 C -7.85826086015285 -5.55803433308509 5.12858101786496 C -6.95592460530482 -4.64221046216310 4.29144647264418 C -7.71778731144803 -4.10125044784524 3.05078688833586 C -8.85887988333798 -3.21466231068309 3.44166138612731 C -10.17766551032702 -3.63931930287267 3.33030674305326 C -11.22233462970337 -2.81851356689429 3.71379588084350 C -10.97235847985906 -1.54796620413657 4.21905836239123 C -12.09764879594967 -0.66992256609991 4.65332778019383 Cl -12.51842257241659 -1.01992622389729 6.38164267033473 C -9.65240474238135 -1.12301994689241 4.33850907772230 C -8.61077810420498 -1.94398595435237 3.95193524829751 C -0.47198573988963 -4.52091456581053 6.40204334652101 C -1.94792482439111 -4.24681790318426 6.08583800725828 C -2.84323354041580 -4.50504205537234 7.33945923440391 C -3.14620300853841 -5.95186080080592 7.54607355260424 C -2.34211436980879 -6.77354828642040 8.33055682975874 C -2.61159949725301 -8.12517167430319 8.44708071160960 C -3.70570116228902 -8.68659438598696 7.79795891261962 C -3.98068816753880 -10.14980032171466 7.88714111183090 Cl -3.31046202749961 -10.98166568902588 6.42362250231963 C -4.52629747672351 -7.86281310866611 7.03271352086389 C -4.24994511746826 -6.51418567412008 6.90737760157741 H -4.82341642745318 -2.53174763039306 -0.10713071370798 H -4.14605935705022 -0.91711227249154 0.07960233880974 H -3.10291085705664 -2.24960440426049 -0.41535400016902 H -4.49042754900026 -1.82045480834644 2.28089312334094 H -2.46627217780496 -0.44685717747027 1.84441146489695 H -2.43368155641525 -1.51075385033094 3.27434584582343 H -0.97632209073437 -3.38421374210467 3.40710557760513 H 1.11052493962368 -4.48720389806975 2.63210159965448 H 2.63152119782281 -3.93291976725523 -0.70150528193608 H 2.60176160463924 -5.00776571750835 0.73051457819009 H 1.11950766634055 -2.00448006794104 -0.83634083433701 H -0.94052378330234 -0.91422323188633 -0.06759858905891 H -8.69499271093025 -4.97906229840032 5.51136386743499 H -8.25580745783392 -6.38415253052490 4.54262583253537 H -7.30503649171306 -5.96036114752888 5.97484895561322 H -6.67889373895239 -3.77590362577733 4.90228172934955 H -6.98382898335062 -3.53102109547698 2.46812071174984 H -8.08612375323610 -4.93399567501296 2.44705555121781 H -10.39273954507810 -4.62300935291778 2.93761516053822 H -12.24180900445649 -3.16484542334244 3.62122974422403 H -11.83233751298709 0.38532823414224 4.62234520944828 H -13.00892597922844 -0.85493212823649 4.08699681567912 H -9.44294772331995 -0.14047911032404 4.73612985895042 H -7.58872997299174 -1.60654299368688 4.04762205270085 H -0.14594871639052 -3.83849216632437 7.18315687394842 H 0.14553863651629 -4.34429088581564 5.52359437913967 H -0.31005493363516 -5.53887120118535 6.74707039182122 H -2.04995107107651 -3.17377889943072 5.87585485850076 H -3.77439190732325 -3.96189447001131 7.15558576037839 H -2.34397129756065 -4.08389412419894 8.21286909875158 H -1.49613637703650 -6.35134314910240 8.85325786876651 H -1.97021047697975 -8.75133758171166 9.05059206789796 H -5.04659082967970 -10.37222688808146 7.88877139763623 H -3.49093426474643 -10.61217556393426 8.74217586575601 H -5.38815029019074 -8.29077350320251 6.53864909134483 H -4.88585607953696 -5.86447449449117 6.31073770151524 N -4.40313148259570 -2.83929750283035 4.67909908499389 93 energy: -132.060480291296 gnorm: 0.000342085553 xtb: 6.5.1 (b24c23e) N -3.61164824939794 -3.65026082314793 2.07627345956902 C -3.08673632552121 -4.53736817414360 1.05733869103208 C -2.57449642869291 -5.82749815347842 1.70199037526265 N -3.46384539500275 -6.22737264416525 2.77830357159638 C -4.71035917607067 -6.79773617047480 2.29564205735088 C -5.81208068588124 -6.57468094867831 3.33471392002266 N -5.69403913186592 -5.24031552544133 3.89167597538200 Mo -3.99242828824944 -4.29806005154975 3.87037178645841 N -2.47000326191238 -4.93044654383616 4.91109863545255 C -1.87517902717072 -6.22467580352675 4.63958010417862 C -2.81352031554687 -7.06450134548923 3.77008182563937 H -1.68818504411672 -6.78846306422563 5.56443307071326 H -0.89818797215827 -6.10965390421797 4.13325710613479 H -3.58660627649064 -7.48711745969233 4.41811219706133 H -2.26236479932080 -7.89949337749481 3.30415797945418 H -6.78102409165162 -6.71927748413514 2.83795856827344 H -5.74322087274299 -7.34184077150944 4.12757305844836 H -4.99494263681052 -6.27118382531630 1.37957982842612 H -4.60398468759027 -7.87016853715775 2.06021354910604 H -2.24963489367358 -4.07805167402418 0.51348701522292 H -3.86419159319854 -4.77403204854102 0.30668889590601 H -1.58901850350583 -5.62489194315344 2.12965498136604 H -2.46494925890926 -6.62290324113094 0.94522565020414 C -3.94931383314823 -1.97871006225114 0.21865668230460 C -3.66793026788606 -2.24847642899569 1.70135823224636 C -2.39725747892913 -1.48325559313944 2.18552412695198 C -1.11802132955116 -2.09318765822335 1.71504132572493 C -0.51361985184890 -3.09639768557024 2.46999309241768 C 0.64664131725059 -3.70833538571280 2.03473772493019 C 1.24016171046303 -3.32991417179363 0.83383658149598 C 2.50776131375818 -3.97065441011946 0.37761996491794 Cl 3.93018306723905 -3.08617783489849 1.07328404160741 C 0.65193117741405 -2.31276128100201 0.08973672878403 C -0.51072272103325 -1.70354061435661 0.52461161498736 C -7.85947404801717 -5.56564171394419 5.12839933583215 C -6.95601519943535 -4.64920138241475 4.29314316746156 C -7.71581543955974 -4.10763306070904 3.05156038908605 C -8.85490306325609 -3.21797123235927 3.44092831062608 C -10.17469728912072 -3.63895269980999 3.32816509056193 C -11.21737208820515 -2.81490560710986 3.71020425069895 C -10.96412540376108 -1.54501107025796 4.21534541910331 C -12.08728470681318 -0.66359560416938 4.64857184461056 Cl -12.50486066776101 -1.00625671634930 6.37880207090916 C -9.64310017603391 -1.12383790862985 4.33633906292377 C -8.60350958317610 -1.94793808149296 3.95119489177881 C -0.46829996639445 -4.52469202076511 6.39974215638833 C -1.94385449810646 -4.24830074833685 6.08383594384891 C -2.83852902650730 -4.50317464881930 7.33864249133496 C -3.14510966380057 -5.94905792380287 7.54636090200959 C -2.34314272146047 -6.77223307849371 8.33139912882329 C -2.61565011592495 -8.12322459581575 8.44822727005636 C -3.71054190001015 -8.68242354308411 7.79863065526790 C -3.98832987193091 -10.14520437704512 7.88755681725861 Cl -3.31453234524127 -10.97838623215893 6.42671065756108 C -4.52925634693166 -7.85702536543649 7.03309770446624 C -4.25010079758474 -6.50902806662430 6.90769476037605 H -4.82787982772877 -2.53381243292658 -0.10476968609630 H -4.15098587102238 -0.91911885347330 0.08308063064458 H -3.10743506076004 -2.25102186935753 -0.41267169581286 H -4.49616250912909 -1.82491385434335 2.28350020176774 H -2.47403178986479 -0.44806259451053 1.85052319107811 H -2.43994438221239 -1.51496717566117 3.27822972007177 H -0.97794066547904 -3.38492268651208 3.40799726790870 H 1.11074040589472 -4.48256079443323 2.63057480199839 H 2.62925351215813 -3.91995168182313 -0.70302615240600 H 2.60214407741725 -4.99760349487673 0.72685777388474 H 1.11242918052301 -1.99590432633537 -0.83497932294791 H -0.94923670563141 -0.91070175310363 -0.06366588371771 H -8.69597574497953 -4.98666355649476 5.51169884615949 H -8.25737392103579 -6.39051142923293 4.54092359405384 H -7.30695169617767 -5.96977791851846 5.97424447178329 H -6.68005565545133 -3.78321634453092 4.90493021932577 H -6.98001218495646 -3.53961419304016 2.46899420199388 H -8.08570836342054 -4.94002611189449 2.44830581619290 H -10.39207818150247 -4.62220627453710 2.93564032671458 H -12.23772500579072 -3.15839407784838 3.61692499951819 H -11.82047529764758 0.39115169008283 4.61261411706124 H -12.99988076056843 -0.84953381991682 4.08465980635716 H -9.43134019598916 -0.14163671304261 4.73361137679793 H -7.58051293102576 -1.61363489550982 4.04766044263039 H -0.13981666224115 -3.83994633001227 7.17786435609450 H 0.14895116995428 -4.35316629017974 5.52004736473860 H -0.30869932715514 -5.54173328059138 6.74869348189459 H -2.04393772853870 -3.17532411340623 5.87244892542328 H -3.76840834150191 -3.95776028321738 7.15524711662718 H -2.33724721235727 -4.08273816927565 8.21123976180086 H -1.49633824765951 -6.35182682324338 8.85422854203449 H -1.97593334708712 -8.75060976934454 9.05223561030816 H -5.05463066228493 -10.36586142655650 7.88573327858406 H -3.50224281390271 -10.60802223568996 8.74452593198511 H -5.39212125961046 -8.28320197497400 6.53922813677795 H -4.88448886700198 -5.85796439325867 6.31087948109997 N -4.40497039546885 -2.84436443015960 4.68156220807556 93 energy: -132.060489052463 gnorm: 0.000421872189 xtb: 6.5.1 (b24c23e) N -3.61515211638718 -3.65324566563433 2.07798653237264 C -3.08878019956538 -4.53843405836360 1.05805766484448 C -2.57559667426230 -5.82919230122333 1.70085091053624 N -3.46368860897099 -6.22998559845595 2.77790411571514 C -4.70991117007934 -6.80126999347890 2.29550861444432 C -5.81063910284084 -6.58114135270270 3.33616585306201 N -5.69345390656602 -5.24729531811377 3.89465896252320 Mo -3.99316353987307 -4.30251346098619 3.87218262956953 N -2.46813562804971 -4.93323181593390 4.91018697677390 C -1.87338104120206 -6.22731857309210 4.63792447872467 C -2.81223552776327 -7.06712869417843 3.76898123430455 H -1.68559050155569 -6.79121859876548 5.56258978289501 H -0.89680267652420 -6.11211503625172 4.13081932883589 H -3.58470853388793 -7.49008946043229 4.41750534489738 H -2.26125036984652 -7.90181455748448 3.30236604484420 H -6.77991988986116 -6.72606893201815 2.84026585883070 H -5.74019969695789 -7.34925425613843 4.12797934084952 H -4.99606001758319 -6.27345368186471 1.38061549621824 H -4.60226501095270 -7.87317110508654 2.05820464352306 H -2.25185230966810 -4.07730951135150 0.51545190601942 H -3.86552316763589 -4.77466683190258 0.30655604575373 H -1.58946897932428 -5.62714054165826 2.12728035309332 H -2.46726070931296 -6.62394035457729 0.94321227143408 C -3.95563721563012 -1.98010215735994 0.22204647741760 C -3.67339865992219 -2.25118285455076 1.70434196310657 C -2.40377267569727 -1.48489464259664 2.18949338951493 C -1.12360148742304 -2.09194395445100 1.71778815977895 C -0.51670250904838 -3.09465432590200 2.47141610207402 C 0.64493680767912 -3.70331532192318 2.03526170587923 C 1.23726232766974 -3.32226579199961 0.83459380052552 C 2.50588577861534 -3.96003759819149 0.37703426459846 Cl 3.92699854854326 -3.07466875261767 1.07413923153841 C 0.64645253236323 -2.30567586712539 0.09176313103641 C -0.51749213195827 -1.69960325979196 0.52762867720922 C -7.86093875664013 -5.57321673122610 5.12776725986227 C -6.95591481225259 -4.65647768519733 4.29453551613312 C -7.71329669146975 -4.11432441489098 3.05177501174302 C -8.85026544893423 -3.22144254606822 3.43959115629783 C -10.17111366508881 -3.63857315167261 3.32548470379792 C -11.21164582191172 -2.81137945405630 3.70662034504630 C -10.95495047939188 -1.54224214709588 4.21181134627611 C -12.07587410787545 -0.65735511888623 4.64408217950047 Cl -12.48938696943797 -0.99143637916104 6.37660554313109 C -9.63280976256247 -1.12489845998311 4.33407207899105 C -8.59538506588601 -1.95217233469297 3.95008058864316 C -0.46441853967199 -4.52873622541549 6.39645166279189 C -1.93973432367959 -4.25006039223681 6.08133561468844 C -2.83358304656612 -4.50127664818468 7.33748956377033 C -3.14386073500251 -5.94618435179063 7.54640385725145 C -2.34441424526521 -6.77080122955215 8.33247007921891 C -2.62053151619798 -8.12099073189092 8.45028450382440 C -3.71639514854090 -8.67786442542749 7.80039907443043 C -3.99675700793121 -10.14024547953411 7.88866766729997 Cl -3.31665245710106 -10.97475211203926 6.43152680037326 C -4.53295738357458 -7.85083451326631 7.03432977839223 C -4.25030921394974 -6.50365402596948 6.90805111673913 H -4.83433631573444 -2.53498791794780 -0.10147340356186 H -4.15752139151137 -0.92038788292303 0.08760397006978 H -3.11407152924152 -2.25167417634555 -0.41001427825822 H -4.50205424815294 -1.82925743490053 2.28703709581521 H -2.48217730596253 -0.44926046507083 1.85623203615496 H -2.44629284226461 -1.51854758591802 3.28215560646695 H -0.98006092802684 -3.38534247187205 3.40918694661446 H 1.11097736092048 -4.47709556017511 2.63014500204930 H 2.62704378680161 -3.90699537964713 -0.70355080744566 H 2.60195653988269 -4.98755169641127 0.72418316331242 H 1.10598285680634 -1.98670034338910 -0.83271813183399 H -0.95791144324894 -0.90704489097544 -0.05959316852309 H -8.69754236912899 -4.99404840842399 5.51056172664729 H -8.25870640553377 -6.39728968417701 4.53907942737603 H -7.30970635656504 -5.97847315677601 5.97388759610813 H -6.68101575375267 -3.79080983883853 4.90726186799020 H -6.97542135812245 -3.54858020091288 2.46954527985294 H -8.08469380053187 -4.94629892711269 2.44885916318203 H -10.39098203129707 -4.62112658959977 2.93260283611747 H -12.23295104147324 -3.15168265711006 3.61212932833805 H -11.80754913335888 0.39684024467456 4.60228313398202 H -12.98999799219403 -0.84453668501103 4.08301205260874 H -9.41853646361089 -0.14343377881266 4.73180048025615 H -7.57136900680657 -1.62136503605851 4.04784103282469 H -0.13331393091062 -3.84124945079801 7.17105490071892 H 0.15238456166560 -4.36278766093376 5.51534594708482 H -0.30700758010923 -5.54459909510402 6.74993859101117 H -2.03814206522302 -3.17717200944189 5.86852818926719 H -3.76215808384970 -3.95344338208064 7.15489817700948 H -2.32987360918918 -4.08165178033493 8.20908212233300 H -1.49691376611390 -6.35222449562273 8.85561922080524 H -1.98279237061709 -8.74957294546479 9.05513266880824 H -5.06344298582679 -10.35935871051393 7.88154209300965 H -3.51575269991698 -10.60334754653472 8.74841201248168 H -5.39690107441697 -8.27506865764485 6.54070700064099 H -4.88323635189422 -5.85122057580771 6.31114556224252 N -4.40697160910060 -2.84961538151324 4.68409681751538 93 energy: -132.060497298151 gnorm: 0.000448006089 xtb: 6.5.1 (b24c23e) N -3.61878681724826 -3.65615093355613 2.07972629746980 C -3.09184942619908 -4.53927774433642 1.05834368924735 C -2.57709705250432 -5.83072530588473 1.69883253374679 N -3.46320615165458 -6.23324117143873 2.77692281110763 C -4.70930511767611 -6.80593260894443 2.29575465665015 C -5.80896223049061 -6.58822173838492 3.33804720929377 N -5.69288565743967 -5.25455215784584 3.89704397101665 Mo -3.99389332346569 -4.30749394532446 3.87367007231075 N -2.46632936934216 -4.93644602486730 4.90880445948784 C -1.87108315887270 -6.23005323828588 4.63573531182860 C -2.80961400246083 -7.07024635532650 3.76675755700107 H -1.68263304112803 -6.79420392886685 5.56017814542251 H -0.89480552442411 -6.11409779803990 4.12820922849616 H -3.58088278352125 -7.49517658201033 4.41544388474809 H -2.25768225044940 -7.90352976346084 3.29878077261016 H -6.77879217367263 -6.73445552810771 2.84365426395564 H -5.73594425887623 -7.35662095778539 4.12933869735698 H -4.99746428859320 -6.27772671705466 1.38172801452884 H -4.60037277343885 -7.87745169043590 2.05739269700164 H -2.25548850017343 -4.07635439920816 0.51635674633713 H -3.86860275992850 -4.77497644018389 0.30665836583392 H -1.59003774503665 -5.62938472236629 2.12352817164427 H -2.47037740062869 -6.62444956940542 0.93989807143413 C -3.96303654468619 -1.98099718668819 0.22611745000366 C -3.67932399230152 -2.25369124394489 1.70783654640429 C -2.41048075270667 -1.48621762287134 2.19309250408685 C -1.12918880495597 -2.09031769511701 1.72049371148984 C -0.52004624176541 -3.09245356854998 2.47304719270054 C 0.64296105744321 -3.69799505718675 2.03631406379100 C 1.23441586082885 -3.31446081700949 0.83600689192008 C 2.50405331595355 -3.94956168104313 0.37739534891297 Cl 3.92425962995987 -3.06401752289907 1.07612675810136 C 0.64139426416342 -2.29836105302235 0.09430758146115 C -0.52385445109642 -1.69531820207976 0.53082423422924 C -7.86258197557568 -5.58049241384881 5.12663174724795 C -6.95581330666776 -4.66386114443757 4.29520423463822 C -7.71053289035831 -4.12078218034992 3.05124644450394 C -8.84534229240501 -3.22474166064440 3.43780126246774 C -10.16728097456159 -3.63786628045320 3.32229793617083 C -11.20560910358778 -2.80763106525980 3.70293726900009 C -10.94542260488786 -1.53948613886502 4.20873071540012 C -12.06394382231568 -0.65091248860260 4.63990081564124 Cl -12.47315772483034 -0.97590362144777 6.37493606581907 C -9.62212351682639 -1.12617739533681 4.33237986209528 C -8.58693565811426 -1.95650125625608 3.94910834065049 C -0.46048489454302 -4.53247892803370 6.39271865282273 C -1.93560210486060 -4.25208233679580 6.07826540300055 C -2.82843012936280 -4.49960264968628 7.33591654370740 C -3.14281363012881 -5.94337719960669 7.54648033499775 C -2.34597766388216 -6.76934939244109 8.33374863974608 C -2.62578507060232 -8.11865636571579 8.45272542629663 C -3.72268035286472 -8.67325669841547 7.80262109109893 C -4.00588589866247 -10.13509427611445 7.89072554760981 Cl -3.31712218041452 -10.97154465790096 6.43864749628839 C -4.53692623298736 -7.84467393807645 7.03579474520514 C -4.25070287518461 -6.49835071797581 6.90846682788153 H -4.84193975756218 -2.53575558961659 -0.09707366672074 H -4.16549472361797 -0.92118724148116 0.09321642930502 H -3.12211570951609 -2.25149616980745 -0.40727694915651 H -4.50819139283864 -1.83370052842296 2.29165390044409 H -2.49061861184304 -0.45027254720474 1.86118183630479 H -2.45263812973504 -1.52127846304911 3.28572099381368 H -0.98268903485373 -3.38526612087223 3.41046223075061 H 1.11084883678531 -4.47113607874937 2.63056885132093 H 2.62508593222607 -3.89447723494690 -0.70309538963612 H 2.60127636850128 -4.97761020377427 0.72266277472928 H 1.10020410904639 -1.97736112457539 -0.82981478534954 H -0.96611613552422 -0.90323712093066 -0.05565474701643 H -8.69970384132889 -5.00104195378517 5.50788770188315 H -8.25956257407908 -6.40432950907690 4.53709835622339 H -7.31302978599240 -5.98603950064135 5.97370298711452 H -6.68177008861047 -3.79851774696186 4.90875696116137 H -6.97058130844156 -3.55716663608317 2.46950984600223 H -8.08338626778352 -4.95222478065338 2.44849835915313 H -10.38972360157846 -4.61975936338748 2.92917399032703 H -12.22782925025563 -3.14492655175368 3.60773336427603 H -11.79416338137940 0.40268831248481 4.59203340345926 H -12.97976570679043 -0.83954565729087 4.08210136833363 H -9.40524157285397 -0.14540620156050 4.73042731423717 H -7.56194773525221 -1.62897482703330 4.04775971686748 H -0.12679840074707 -3.84242552250237 7.16392880744507 H 0.15562551951206 -4.37183382048580 5.51018473076055 H -0.30512689148753 -5.54718572559706 6.75033977315387 H -2.03227694942944 -3.17935235429131 5.86378340536963 H -3.75566538431387 -3.94930553970853 7.15416490800115 H -2.32224364592977 -4.08071724665518 8.20641984226362 H -1.49744818508070 -6.35264781061757 8.85678157189279 H -1.99013362598548 -8.74837411864702 9.05859032621838 H -5.07276191432414 -10.35295399841214 7.87664552305169 H -3.53103886184028 -10.59825689552238 8.75385263612922 H -5.40211607243101 -8.26684804694452 6.54261913393810 H -4.88205952784336 -5.84469350730155 6.31120339928747 N -4.40912732683090 -2.85562379631572 4.68675578076003 93 energy: -132.060503275822 gnorm: 0.000359462414 xtb: 6.5.1 (b24c23e) N -3.62178282486517 -3.65859054717803 2.08154468995326 C -3.09513523047468 -4.54005815246916 1.05868701502997 C -2.57859798409058 -5.83205316484007 1.69682964474248 N -3.46255265897475 -6.23662645775381 2.77595125745123 C -4.70840443835216 -6.81102078292512 2.29610162142356 C -5.80699350600356 -6.59474536092677 3.33990169274809 N -5.69225234711830 -5.26084158772075 3.89838665893659 Mo -3.99440868699948 -4.31196966382155 3.87512593211500 N -2.46459317833987 -4.93950553711704 4.90746871358998 C -1.86863783269728 -6.23257044694108 4.63378067551658 C -2.80627035938932 -7.07337517760646 3.76428209215899 H -1.67973889033949 -6.79698504581683 5.55804587066041 H -0.89250570707067 -6.11576557443877 4.12615857720969 H -3.57604205365412 -7.50110943555914 4.41292380054319 H -2.25280443033785 -7.90476882983465 3.29469634778343 H -6.77721264378078 -6.74276555998220 2.84685841378770 H -5.73159373670681 -7.36282541882174 4.13130322506921 H -4.99832936736852 -6.28328565597774 1.38236946420891 H -4.59830976104479 -7.88241186022869 2.05774169260192 H -2.25974657463441 -4.07574442549896 0.51633766067093 H -3.87251246628282 -4.77565773751129 0.30759711900739 H -1.59087701039431 -5.63074439284897 2.12003626561657 H -2.47273793973626 -6.62468201105573 0.93658996586295 C -3.97038739654007 -1.98166856619003 0.23011652864833 C -3.68443019662439 -2.25581255322491 1.71112865181326 C -2.41635904086292 -1.48691623172141 2.19614338305417 C -1.13434646687211 -2.08880311956321 1.72260349308074 C -0.52342907212435 -3.09049679039448 2.47431161169696 C 0.64087568931753 -3.69335468507987 2.03732627626837 C 1.23192413603637 -3.30756692922304 0.83754675858728 C 2.50244536684531 -3.94056896607142 0.37837964922366 Cl 3.92179776710991 -3.05481372247564 1.07869464858199 C 0.63719595279402 -2.29177948916958 0.09675651463704 C -0.52941562301252 -1.69146522361084 0.53350717815110 C -7.86403252073286 -5.58642215604608 5.12487780041187 C -6.95553422000354 -4.67004425787636 4.29509038636600 C -7.70826216211153 -4.12619693468468 3.05027459609851 C -8.84111215194465 -3.22739819480746 3.43608613784803 C -10.16402257388776 -3.63705780166677 3.31983599350591 C -11.20038386648935 -2.80411296573515 3.70006782699896 C -10.93713096913937 -1.53674225905627 4.20617551702295 C -12.05340067450687 -0.64504585540812 4.63662713302885 Cl -12.45875058366864 -0.96182087198564 6.37411346463387 C -9.61278507436629 -1.12701349328294 4.33081018203532 C -8.57960134137238 -1.96000078694627 3.94799050182422 C -0.45710287865451 -4.53568580987007 6.38913940266977 C -1.93210897991325 -4.25379995478183 6.07538822783220 C -2.82409914728460 -4.49825417971287 7.33421242872736 C -3.14172289985965 -5.94115681489936 7.54590615578032 C -2.34707995011700 -6.76825858322287 8.33423330466507 C -2.63038448761653 -8.11668301572933 8.45479527820179 C -3.72828566202594 -8.66939279633452 7.80472071098728 C -4.01416566678281 -10.13060427791828 7.89335242828608 Cl -3.31707651969584 -10.96991647269190 6.44650995832304 C -4.54035599303158 -7.83959474067525 7.03694376555539 C -4.25095355649431 -6.49402765198487 6.90840179864271 H -4.84929197444753 -2.53670783068224 -0.09264788773540 H -4.17382246239896 -0.92184838155168 0.09876566193989 H -3.13001451806709 -2.25074465269033 -0.40460223091703 H -4.51322194791318 -1.83761265920467 2.29629423079381 H -2.49815265916732 -0.45088278523916 1.86489696367886 H -2.45777876163141 -1.52266737832536 3.28879228547616 H -0.98564858507569 -3.38516850704271 3.41131228769066 H 1.11010567096445 -4.46609317907296 2.63105411654666 H 2.62370990623036 -3.88373436412700 -0.70198282000552 H 2.60053393535703 -4.96909952143280 0.72212117546687 H 1.09575883679915 -1.96882521251622 -0.82682338032550 H -0.97284234523716 -0.89944736566051 -0.05218235172907 H -8.70199046091657 -5.00678999421046 5.50401474217372 H -8.25972394679962 -6.41070812096203 4.53510061757098 H -7.31619512885531 -5.99134669411210 5.97333591633978 H -6.68207331405102 -3.80498989483785 4.90931157458640 H -6.96659903921868 -3.56431605494340 2.46899565933105 H -8.08241911411297 -4.95707103582508 2.44753214315610 H -10.38885259284183 -4.61804123556299 2.92584252512179 H -12.22343378924886 -3.13866245364183 3.60404465459760 H -11.78233477634618 0.40796383217449 4.58349032801102 H -12.97080978121081 -0.83484146591594 4.08185259822860 H -9.39350317183706 -0.14711889195391 4.72967459875729 H -7.55375422085182 -1.63546050743671 4.04779617893403 H -0.12174232229983 -3.84379517914829 7.15790652468672 H 0.15848893230499 -4.37850483955281 5.50567105522003 H -0.30290822540542 -5.54954409173522 6.74967399616814 H -2.02773282280001 -3.18124613808984 5.85943761933177 H -3.75022106262838 -3.94588405247456 7.15315660644051 H -2.31582113539185 -4.08006532913447 8.20382438099268 H -1.49786227738205 -6.35305385326842 8.85730902505007 H -1.99659278484810 -8.74731925259031 9.06164905340443 H -5.08122908282814 -10.34712450408936 7.87264826284044 H -3.54534981960524 -10.59330488717857 8.75999247007495 H -5.40660719101040 -8.26001746190584 6.54414056741052 H -4.88093297699378 -5.83945273199106 6.31064737748451 N -4.41097659796718 -2.86111934512389 4.68932538334985 93 energy: -132.060505005947 gnorm: 0.000191953325 xtb: 6.5.1 (b24c23e) N -3.62161685316711 -3.65864995903938 2.08166741430551 C -3.09535000836507 -4.54024939645555 1.05880264231407 C -2.57818424361498 -5.83194259447233 1.69707332925316 N -3.46215796672189 -6.23706774041386 2.77593215909310 C -4.70791924572928 -6.81163792126604 2.29615724371459 C -5.80679684726235 -6.59504152844784 3.33965817518821 N -5.69225085642080 -5.26099992483095 3.89763329713001 Mo -3.99436952096934 -4.31229968852594 3.87505168081482 N -2.46448764016494 -4.93972558904455 4.90729972147844 C -1.86833202593343 -6.23267823536935 4.63379360565047 C -2.80572791454453 -7.07370910093108 3.76419480460253 H -1.67964057473806 -6.79708363948171 5.55809931459271 H -0.89205416044335 -6.11577136173745 4.12646008668773 H -3.57538968665764 -7.50188691377239 4.41270276003183 H -2.25185440061153 -7.90481521918635 3.29454234924590 H -6.77694488381793 -6.74344982611680 2.84658939434899 H -5.73127020127750 -7.36279212029223 4.13133480700358 H -4.99772406455070 -6.28437225684287 1.38216329776579 H -4.59784021664126 -7.88311780168089 2.05827759830954 H -2.26034790443348 -4.07600844376069 0.51583718577987 H -3.87309871962074 -4.77616921908501 0.30819116002432 H -1.59072109898386 -5.63003741723436 2.12059145088691 H -2.47161453266887 -6.62445002092559 0.93681313147079 C -3.97098061900405 -1.98202882320505 0.23025687117874 C -3.68482194255895 -2.25590721492209 1.71129484709171 C -2.41672252458527 -1.48659728725466 2.19560175312243 C -1.13457187461726 -2.08838102255589 1.72225041958843 C -0.52405894027725 -3.09034946530794 2.47393954578883 C 0.64022407833209 -3.69342814879991 2.03711184678487 C 1.23168973236357 -3.30744949395600 0.83760348644752 C 2.50245793710149 -3.94028686053850 0.37894980980971 Cl 3.92135111237601 -3.05417357095552 1.07978758847714 C 0.63729411850039 -2.29145043162908 0.09678965149873 C -0.52931480094073 -1.69097229404827 0.53334384401904 C -7.86391987860953 -5.58654338162152 5.12440675401697 C -6.95556300365011 -4.67022128650247 4.29442069228622 C -7.70832493912979 -4.12595090162719 3.04978251135323 C -8.84106144732208 -3.22707339499016 3.43582776258178 C -10.16404443022671 -3.63651777686627 3.31968074536429 C -11.20027456086873 -2.80362277018175 3.70033358426420 C -10.93689700577380 -1.53638149947312 4.20670071280319 C -12.05293866310734 -0.64450999542321 4.63708372041237 Cl -12.45814144428004 -0.96157632778132 6.37476114931111 C -9.61247205292281 -1.12682156548591 4.33111122444808 C -8.57941156359095 -1.95982011114361 3.94797364309403 C -0.45710431787273 -4.53535274171445 6.38918384950979 C -1.93215400128300 -4.25393427623720 6.07524311921886 C -2.82422669723479 -4.49844606967311 7.33399985895834 C -3.14182192080017 -5.94134484091338 7.54570042745119 C -2.34710359006622 -6.76839267421171 8.33402539018754 C -2.63032628344581 -8.11680846375275 8.45459993527071 C -3.72832166673174 -8.66961234575782 7.80465310132919 C -4.01471013735520 -10.13057765229178 7.89418648773131 Cl -3.31741160280594 -10.97126548069145 6.44811207815383 C -4.54022462913722 -7.83993754743705 7.03659130807567 C -4.25084177594146 -6.49434113980540 6.90795187242388 H -4.84952927343366 -2.53767461111310 -0.09232661065917 H -4.17519691629779 -0.92238809349521 0.09891966011873 H -3.13051759741445 -2.25053903315454 -0.40458354652484 H -4.51359736052377 -1.83796179787594 2.29670490351606 H -2.49881353651656 -0.45073605643697 1.86388453279522 H -2.45792260834810 -1.52174962467833 3.28828646725541 H -0.98652698567820 -3.38501814450692 3.41082362644333 H 1.10915697246403 -4.46637812230204 2.63083760129446 H 2.62419967878091 -3.88355814381383 -0.70136006651156 H 2.60059279318165 -4.96873346052290 0.72292183307814 H 1.09617081805294 -1.96839873431744 -0.82659176920508 H -0.97261231867280 -0.89894542798246 -0.05247754638433 H -8.70225111020563 -5.00701792910928 5.50284097703398 H -8.25901519880340 -6.41126543929062 4.53484935806162 H -7.31626940417601 -5.99082374935819 5.97332247904867 H -6.68192906441454 -3.80526638497272 4.90866660681202 H -6.96673629923053 -3.56398119925631 2.46849846719325 H -8.08259615717730 -4.95670243863241 2.44696597116691 H -10.38904813943880 -4.61756698877330 2.92594791751691 H -12.22335612195986 -3.13808622694444 3.60440323725612 H -11.78171160843343 0.40843401482856 4.58431353241384 H -12.97050755766943 -0.83404362367115 4.08252611754531 H -9.39302345586551 -0.14692437526916 4.72985563883868 H -7.55355408184572 -1.63524298256294 4.04755324982362 H -0.12205743988876 -3.84396269194105 7.15851468169307 H 0.15849274887287 -4.37738753197705 5.50590006553428 H -0.30268850356630 -5.54938495686983 6.74896758753772 H -2.02784161123599 -3.18142934875004 5.85917309286418 H -3.75041458126881 -3.94619943155868 7.15285324202735 H -2.31615066370183 -4.08022040612848 8.20370117879235 H -1.49770208279555 -6.35315714366729 8.85682433446726 H -1.99658806667450 -8.74738458603898 9.06157245376631 H -5.08175024055063 -10.34676705117715 7.87325743480546 H -3.54619729109306 -10.59289394371349 8.76115959139892 H -5.40645315165101 -8.26039210024810 6.54373833038327 H -4.88088610034441 -5.83984801078439 6.31013618973250 N -4.41108757969322 -2.86159644823707 4.68945097734401