122 energy: -139.411159897592 gnorm: 0.083829714419 xtb: 6.5.1 (b24c23e) N -3.24942712550024 -3.15773931318820 2.13966389910856 C -3.67928743471074 -3.79693993041248 0.88370976147906 C -3.26625357212479 -5.24839907946021 0.88931683837697 N -3.76392009095777 -5.86076432762787 2.13634281862763 C -5.19202438804903 -6.23448334458816 2.04863231193035 C -5.80727088368240 -6.08297109987463 3.42410961870734 N -5.50363493107187 -4.74136943730533 3.95226975485459 Mo -3.62919830512858 -4.17449644167068 3.81560311274450 N -2.48165423059906 -5.62245081238276 4.50296834144261 C -1.81004579934686 -6.39041868555652 3.44447172649515 C -2.89848019690758 -6.98340352647611 2.56516333319373 H -1.16958653706654 -7.18208536265369 3.85388747010480 H -1.15001554562101 -5.73833178945034 2.84943117843020 H -3.49971404191319 -7.68651426375426 3.15612555527936 H -2.49664218644500 -7.52026106017982 1.68947433378662 H -6.89111209737801 -6.24270151374598 3.34743003666159 H -5.41766472966798 -6.85700097031806 4.10998316018129 H -5.68780372645235 -5.54032301610021 1.35715860504498 H -5.30729017208858 -7.25805377919353 1.65371438168195 H -3.22293490236294 -3.31120657682958 0.01220884938501 H -4.77222299832995 -3.70271727424523 0.75317910679847 H -2.16950177722569 -5.30959157983874 0.89511859546896 H -3.64129751620401 -5.79400386453756 0.00584510463609 C -3.47563278013409 -0.95860269429321 0.99662368138105 C -2.57152826828118 -1.83012237080740 1.89302278179869 C -2.32143319829565 -1.01904880690485 3.16199862630203 C -1.20964099672300 -2.08990190833313 1.19328232038642 C -0.19492503812123 -2.85145212322098 2.04359472435394 C 1.00697323902203 -3.41679539846627 1.27951203899645 C 0.65556148272198 -4.56656422089312 0.32896830436632 C 1.85827117689224 -4.94393150946550 -0.56055129613376 C 3.20517620752370 -4.72097697302613 0.15767318100040 C 3.05289322699246 -4.93663617034435 1.66395533805599 C 2.08960800133096 -3.89746643058729 2.27177218918373 C -6.25758641503584 -2.74570929462435 5.24850520192255 C -6.67721508136434 -4.05465064392233 4.58097327026940 C -7.30021922337608 -4.95594074414235 5.66129668371488 C -7.73296073034551 -3.74117282126236 3.48678539588463 C -7.28378206006918 -2.73210611764587 2.42878640799497 C -8.15186152774807 -2.68444448526564 1.16189693417976 C -9.64059520486571 -2.44895425991026 1.44130772142987 C -10.39940302662258 -2.11348971762194 0.14036877292758 C -9.79172809648475 -2.82286206486474 -1.08870954715294 C -9.16170534997948 -4.15753621671386 -0.68730986222099 C -7.97563735541828 -3.93650623165652 0.27282880927061 C -3.17184192994342 -5.46205045598547 6.91085595215580 C -2.27301983152707 -6.16404466365851 5.88639207745253 C -2.65300764613210 -7.65776640075555 5.92714077532743 C -0.78241403575135 -6.00051859579987 6.27812272828274 C -0.23214719342092 -4.57668390974706 6.18582141225151 C 1.29309525404622 -4.47570521378873 6.29114071801226 C 1.83903502363988 -4.97708960361765 7.63489345329627 C 3.36378092888614 -4.85106589792575 7.71496736055986 C 3.82744382381158 -3.41825675246768 7.43978964164834 C 3.28582359863591 -2.90962910996353 6.10121466144988 C 1.76236046236191 -3.03696877824850 6.03637266170926 H -4.46138704855060 -0.82650818151799 1.46582499649600 H -3.62415954486147 -1.37609885520433 -0.00699571655751 H -3.01880202120641 0.03269141248168 0.87299584193430 H -1.83276659761959 -0.07867111816297 2.87096855256238 H -1.66379529276146 -1.53054411432134 3.87091405121390 H -3.26254733680163 -0.76907233581980 3.66811170356646 H -1.38820096850418 -2.62707084960057 0.24894558750197 H -0.79196592482165 -1.11178203987587 0.90364980604360 H -0.70634815554896 -3.68572008124702 2.55853250713244 H 0.18448442023805 -2.19468166770975 2.84366155638749 H 1.43213546549089 -2.59844869535568 0.66919297639990 H -0.20883870455607 -4.31513499074807 -0.30466871475577 H 0.34854256115397 -5.43573895342038 0.93969120696914 H 1.76716813208279 -5.99809329385724 -0.86605117260408 H 1.83315244967617 -4.35010211603973 -1.48751300848209 H 3.56188776689002 -3.69324216588425 -0.02165138145108 H 3.97262463403174 -5.38925105878936 -0.25958434143723 H 2.66633236721133 -5.95490183062422 1.83965478194807 H 4.02881906904648 -4.88952525868000 2.16955598620113 H 1.59218568521045 -4.33196321509851 3.15587915830816 H 2.65196300766207 -3.02340705672146 2.63765990496055 H -5.64760532722456 -2.93698342367426 6.14090290811530 H -5.71030068337517 -2.09140771318213 4.55525728562516 H -7.15861915874132 -2.20540004169144 5.56901574523101 H -8.10385218901564 -4.41098782071592 6.17613974670464 H -6.54549323548988 -5.23720113324817 6.40940199255308 H -7.73796587166253 -5.87320355455634 5.24609866875466 H -8.62921155558985 -3.36600250526817 4.00565600003830 H -8.04559647091127 -4.68190744986604 3.00800535625995 H -7.26498216174892 -1.72435018945395 2.87435283502991 H -6.24357507485545 -2.95682728505787 2.13612074575078 H -7.79625410680897 -1.81522171398114 0.57969748847649 H -9.77086645252955 -1.63837787879981 2.17609669374944 H -10.06826388664810 -3.35430007487494 1.90380227411200 H -10.39045950621032 -1.02482338134610 -0.02437914716929 H -11.45636522803881 -2.40066990904657 0.25208975879429 H -10.56174459324581 -2.97128782988506 -1.85986389148297 H -9.01662772615322 -2.18638265397978 -1.54740189206308 H -9.92858517408193 -4.77941908849742 -0.19602511157822 H -8.83263693653709 -4.72012839881650 -1.57378829279488 H -7.03911604072574 -3.83148434103959 -0.30093090906788 H -7.85315650615673 -4.83228772029939 0.90412346902829 H -3.09142757358345 -5.99431090824919 7.86848765314576 H -2.89799850121257 -4.41748135947663 7.07979478071950 H -4.22364106076336 -5.49102381940558 6.59266034023324 H -2.05819326510792 -8.27663804363564 5.24305535896745 H -2.48375347543704 -8.04257043652263 6.94229763531671 H -3.71777477115425 -7.78850525673179 5.68582903489477 H -0.67295698925751 -6.39038403189555 7.30207509703291 H -0.17024749693210 -6.65989195923118 5.63969269240620 H -0.68035104416387 -3.94420870823181 6.97298088299861 H -0.53415262124912 -4.14502612513143 5.21523572587612 H 1.72587272450124 -5.11327730538040 5.49425780112546 H 1.37830240846886 -4.38106717618230 8.44485392477335 H 1.54112251619777 -6.02346259480613 7.80496962768455 H 3.71913444754773 -5.18698707675629 8.70144065172524 H 3.81993002027221 -5.52763500060294 6.97041289399421 H 4.92690354425980 -3.36256205250079 7.45480447108781 H 3.46735396084086 -2.75839524228883 8.24917848139464 H 3.58901365431639 -1.86396928326711 5.93573172142918 H 3.73017491311590 -3.50074433376450 5.28039262873860 H 1.39103324691251 -2.69122944078675 5.05736000592618 H 1.30730129716085 -2.37694028376140 6.79820185370983 N -3.21474406622713 -2.90446503504805 5.19910336091398 H -2.28608283806163 -2.85693308245580 5.62738826175639 H -3.81104835554594 -2.17183523508853 5.58803409326682 122 energy: -139.421563409467 gnorm: 0.033724531797 xtb: 6.5.1 (b24c23e) N -3.25300927351851 -3.14872326976108 2.14370406528355 C -3.67818114333118 -3.79098979509045 0.89726017950827 C -3.27185647756462 -5.25103727154945 0.91044583145655 N -3.76575158225124 -5.84803589431097 2.15721127507021 C -5.18115452545962 -6.23083012035196 2.05277830373027 C -5.80094056931903 -6.07168760890106 3.43055212644626 N -5.48229337362269 -4.73888271098444 3.95348713135611 Mo -3.60997978608338 -4.16628778836604 3.80622917787362 N -2.49889138558590 -5.61868265502066 4.50490976632195 C -1.82208561930732 -6.38356869115365 3.45914695417567 C -2.90890107775645 -6.97339763424014 2.56795738879064 H -1.18205464488903 -7.17662567245439 3.85546489720059 H -1.16977555182752 -5.72500174369380 2.86777909464359 H -3.50301278637016 -7.68101643651645 3.15392129035456 H -2.49763203509296 -7.50387918318631 1.69715413054254 H -6.87988874565780 -6.23722647094611 3.34820869014073 H -5.40957390144126 -6.84282681170580 4.11490801812245 H -5.67837097848710 -5.54267000025160 1.36191460085015 H -5.29797740872623 -7.25374198532188 1.66542036105337 H -3.22289962475746 -3.32434222449711 0.01915591328607 H -4.76874882270023 -3.69833647174346 0.77009926018755 H -2.17876266511540 -5.31003826174325 0.90514005946709 H -3.65024506680702 -5.78797068306520 0.02695688711868 C -3.46722881189591 -0.95583412509935 0.99566999067689 C -2.57098726532274 -1.84574753551867 1.88155908665086 C -2.32737900061618 -1.03326708000601 3.15467670804228 C -1.20295573351355 -2.08604457616273 1.18649781256635 C -0.19899581794076 -2.85722684910027 2.04259570822683 C 1.00802304165798 -3.41277721106056 1.27311116368831 C 0.65872903190374 -4.57044189500996 0.33609521008417 C 1.85453796011825 -4.94038287871934 -0.55461468007462 C 3.19392586109781 -4.71266545665673 0.16093927901777 C 3.03626976427106 -4.93367206082887 1.66102418730570 C 2.08161661588356 -3.89502717912223 2.26907823965485 C -6.25669573860710 -2.75999414123791 5.23780965533673 C -6.66353256180192 -4.06948170513689 4.56082315941994 C -7.29696406605550 -4.95302884215270 5.65174814364888 C -7.73912691023657 -3.74538288409385 3.48776221164868 C -7.28780957212451 -2.73829307327540 2.43067234939649 C -8.14883022596643 -2.68526747065073 1.15695683185350 C -9.63576335093155 -2.45942891063133 1.43966475759013 C -10.39126855606339 -2.11698366121225 0.14550014924717 C -9.78331493472287 -2.82028244137503 -1.07798435268404 C -9.16196966275812 -4.15260082247490 -0.67340906636308 C -7.97439632679234 -3.93619015666134 0.27545425045208 C -3.17075463028260 -5.45953119009314 6.89147220780114 C -2.26965143254626 -6.16085902801839 5.86907970172092 C -2.65088642911183 -7.65388866453257 5.93255117052093 C -0.78090696262949 -6.00430893004600 6.27912067243137 C -0.23201367693092 -4.58020814478375 6.18643954220245 C 1.29728163660063 -4.48660884701561 6.28413578260378 C 1.83407005326471 -4.96799557015688 7.63565272997734 C 3.35613595709501 -4.85006052609870 7.70407813458250 C 3.81354130056441 -3.41765691191893 7.44150297029126 C 3.27754958974263 -2.92228125394394 6.10106842537691 C 1.75659951183179 -3.04269490062325 6.04646912938943 H -4.44520649479067 -0.83268697624371 1.46383429097903 H -3.61755784610476 -1.35777471904061 -0.00390960166217 H -3.01815120332562 0.03057039244235 0.88131344125689 H -1.84071711227815 -0.09699940153720 2.87538397173666 H -1.67312129099940 -1.54429447688344 3.85920456025704 H -3.26666724843936 -0.78094393496526 3.65112168600928 H -1.37023365089201 -2.62502658266715 0.25064648124396 H -0.78122791846120 -1.11371995215985 0.91007618300236 H -0.72087009092995 -3.68363570958442 2.55215362075180 H 0.18725125871377 -2.19428232486193 2.82491338059645 H 1.42894751883130 -2.59972434633398 0.66550124082401 H -0.19159332889027 -4.31448324171899 -0.30281746675371 H 0.36460528926876 -5.43780570164002 0.94047720326862 H 1.76740681763428 -5.99031479319381 -0.85324181826608 H 1.83425165498102 -4.34627954958569 -1.47395422137831 H 3.54895052397432 -3.69147050269496 -0.01492043269582 H 3.95357096897560 -5.38632747487309 -0.24804986867212 H 2.65496152609312 -5.94690140352108 1.83093608882563 H 4.01133911314360 -4.87729817587988 2.15538792761419 H 1.59283291553804 -4.33511639857767 3.14550398909742 H 2.65126302852920 -3.02971386748374 2.62380958132302 H -5.65896640625796 -2.95574868991514 6.12939987019937 H -5.70678591347458 -2.11354310796435 4.54942513522664 H -7.15278830837362 -2.22430695364463 5.55611763821067 H -8.09034878856318 -4.40833271915454 6.16487583225226 H -6.54815731493715 -5.23291758973622 6.39395356024808 H -7.73619504953320 -5.86388113678419 5.24823952162581 H -8.62529572174647 -3.36107419854890 4.00298622622471 H -8.04810064416716 -4.67326807685022 3.00003765759355 H -7.28246058889063 -1.73596526797929 2.87179660968873 H -6.25109978708916 -2.96683070799756 2.14375008914546 H -7.79838749602393 -1.81758548766994 0.58009478425335 H -9.76456984007900 -1.64554123414652 2.16082321167147 H -10.06395739508722 -3.35994274867854 1.89152330128234 H -10.37908636438584 -1.03494218344027 -0.02179164372821 H -11.44113919860716 -2.40746774884219 0.25587780863391 H -10.55491061031751 -2.97506408833783 -1.83881038025192 H -9.01259272478109 -2.18875946941337 -1.53356098238084 H -9.92798453065125 -4.76636935548913 -0.18706684294521 H -8.83236973639364 -4.70171107609867 -1.56148125460756 H -7.05236042128126 -3.82808801181950 -0.30779534389762 H -7.86236372801869 -4.82787723103331 0.90032611460483 H -3.09532667314271 -5.98419125570361 7.84558682131041 H -2.89005335305879 -4.42353783690963 7.06374225399624 H -4.21476277941019 -5.49023335332674 6.56707750996460 H -2.06392789160247 -8.27472074485418 5.25816362642954 H -2.48746182205393 -8.03511085949035 6.94073212373281 H -3.70734191404042 -7.78096478112056 5.69131984602210 H -0.67441409239171 -6.37804204605226 7.30196663351939 H -0.16732158854548 -6.65214884578316 5.64338894435775 H -0.67099862094213 -3.95893982695791 6.97689724031073 H -0.53277278845287 -4.15576277241451 5.21678502686813 H 1.73468820469581 -5.11878393728481 5.49608064184866 H 1.38410873556276 -4.37364938921811 8.44130555935358 H 1.55064846491794 -6.01169736452649 7.80061339063444 H 3.70793511650149 -5.17590314276314 8.68887010597970 H 3.80976024334195 -5.51878673103264 6.96193434651138 H 4.90771140796554 -3.36813823489415 7.44916908183455 H 3.45412705000210 -2.76339319496573 8.24523249103492 H 3.57608280950475 -1.87984192538683 5.94535268808728 H 3.72157870254458 -3.51170427472268 5.28969308450708 H 1.40008963187722 -2.69872783715654 5.06931554880039 H 1.31314453199057 -2.38578714307053 6.80604092022041 N -3.20671645174719 -2.90977463600863 5.19149884302854 H -2.27837573331616 -2.83480312339856 5.60610108384649 H -3.78764566362130 -2.18633821013567 5.60852037212801 122 energy: -139.424064657687 gnorm: 0.008470340869 xtb: 6.5.1 (b24c23e) N -3.25229876335234 -3.14324500922665 2.14904803241159 C -3.67884922012579 -3.78276013321644 0.90842764552921 C -3.27341887964532 -5.24892378455535 0.92486412699570 N -3.76313495506111 -5.83742062699577 2.16966509792977 C -5.16987045184031 -6.22587604568708 2.05860234630573 C -5.79173408555748 -6.06327529085204 3.43927336179045 N -5.47557984949082 -4.73268643398928 3.95117915138319 Mo -3.60076801633656 -4.16524064502785 3.80179387808601 N -2.50766527239007 -5.61697165746676 4.50922888380851 C -1.82595697174380 -6.37554034447473 3.47057488571094 C -2.91409491077027 -6.96328390880437 2.57266341085513 H -1.19015047333434 -7.17116832897663 3.86067025620147 H -1.17839419591403 -5.71370549295692 2.88002435637479 H -3.50412824151974 -7.67394056773490 3.15622210909128 H -2.49765632670970 -7.48803452740468 1.70419947655397 H -6.86709058425027 -6.23258105662975 3.35579954685963 H -5.39446666574259 -6.82994355699986 4.12375451314454 H -5.67331311947986 -5.54463999957032 1.36806859817540 H -5.28249839631080 -7.24980597595332 1.67924312711621 H -3.22448289411035 -3.32593693220669 0.02678084092218 H -4.76896864783813 -3.69276191098530 0.78663660237700 H -2.18190341386857 -5.30513884520140 0.91069139316822 H -3.65938265335794 -5.78154797274785 0.04479307070259 C -3.46322592643776 -0.95929815530787 0.99190178656904 C -2.57441330870344 -1.85735212552000 1.87934989873569 C -2.33010832761579 -1.04403813988798 3.15446671401676 C -1.20547373315396 -2.08795197722619 1.18096457320521 C -0.20397086402069 -2.85885350838449 2.04271375079965 C 1.00270192898140 -3.41564728967099 1.27100683072222 C 0.65456552823246 -4.57404382383935 0.33717911132515 C 1.84989101005598 -4.93636082403636 -0.55379972844368 C 3.18566369372205 -4.70671806112419 0.16221684998494 C 3.02666089962811 -4.93080893228121 1.66029230763934 C 2.07539653452271 -3.89147478039441 2.26757710243023 C -6.24712794664409 -2.76457254612179 5.22786272143475 C -6.65191213600333 -4.07486782286633 4.54913045884809 C -7.28798997565618 -4.95816335140529 5.64146871293032 C -7.73575506804590 -3.75454566981760 3.48199020998605 C -7.28438118864962 -2.74076778765094 2.43095824758976 C -8.14407153454478 -2.68974656068873 1.15517319076910 C -9.62908149815956 -2.46626162307107 1.44354798470332 C -10.38350555524895 -2.11834323233250 0.15249077601472 C -9.77784953647748 -2.81897869199761 -1.07022826616165 C -9.16158548671517 -4.15230840610452 -0.66659369091267 C -7.97085799340061 -3.93807495507245 0.27530876683935 C -3.17601394419293 -5.44713976097735 6.87706393480281 C -2.27502782867900 -6.15503437265907 5.85913649634411 C -2.65420297697883 -7.64979868945374 5.93268324452472 C -0.78485584939475 -6.00695191914202 6.27441110859122 C -0.23533924419014 -4.58211308520976 6.18249268341463 C 1.29537489402980 -4.49184841368908 6.28278238972095 C 1.82742288166700 -4.96995037593646 7.63543419597450 C 3.34852949002254 -4.85181280831227 7.70120648552312 C 3.80359123074408 -3.41956859024482 7.44189234210018 C 3.27017580976570 -2.92792200949158 6.10091715266590 C 1.75021362579885 -3.04737601239532 6.04682422565621 H -4.43872262834544 -0.84296047907234 1.45834858561826 H -3.60606318001782 -1.35120057992396 -0.00935031150013 H -3.01262266590222 0.02391695771252 0.89325833253539 H -1.84453595186086 -0.10976087765663 2.88097484882595 H -1.67864835751267 -1.56158352101707 3.85314240632019 H -3.27342823517665 -0.79812229948702 3.64070707421969 H -1.36221560248082 -2.62403499320655 0.24578741298787 H -0.78458487916744 -1.11582539886538 0.92093023190427 H -0.73095331610231 -3.68172884453909 2.54576951103010 H 0.18704685690965 -2.19484719491391 2.81592394172320 H 1.41631091102600 -2.60431123001478 0.66466347117746 H -0.19175123710467 -4.31904362168718 -0.30087975733968 H 0.37460948269491 -5.43855925145995 0.94232491068289 H 1.76728128250252 -5.98410395272975 -0.84891864254175 H 1.82856173996541 -4.34064587384067 -1.46796802209744 H 3.53689092778836 -3.68778147406147 -0.00874604289237 H 3.94308549179611 -5.38133661205661 -0.24140077885618 H 2.64448091763436 -5.93994638548584 1.82464061626581 H 4.00035980672698 -4.87035676911398 2.15008349945145 H 1.58737787103198 -4.33044697479308 3.13899384589746 H 2.64800098463244 -3.02929496166009 2.61333546674837 H -5.65778832072064 -2.97077415334137 6.11874519639550 H -5.68966143288374 -2.12880408889794 4.54070202819830 H -7.14239255010554 -2.23199907147120 5.53994632156228 H -8.07113234908440 -4.40295297738593 6.14989569981925 H -6.54013002205805 -5.23844180830798 6.37904206378825 H -7.73491350672005 -5.86304652912849 5.24242417265804 H -8.60939438005261 -3.36545635001782 4.00502110006470 H -8.04795384755288 -4.67444830278084 2.98969967880183 H -7.29206401934973 -1.74242984064128 2.87126617729094 H -6.24983304565447 -2.96977115368848 2.14788128985424 H -7.79726369298751 -1.82179241781025 0.58355253717799 H -9.75493891283126 -1.65468602212393 2.16201517439110 H -10.05369895072723 -3.36771489369031 1.88488502778188 H -10.36790539837940 -1.03913906026837 -0.01132732631099 H -11.42948083305080 -2.41075504754030 0.26263139053193 H -10.54965858851069 -2.97587675670878 -1.82618335417048 H -9.00693915698389 -2.19186891997276 -1.52168700343828 H -9.92769375777840 -4.75691840498644 -0.17849570848186 H -8.83512036976209 -4.69633955516925 -1.55530557145462 H -7.05850952314742 -3.82815895140726 -0.31517387559445 H -7.86217450219901 -4.82538448757890 0.89867578818064 H -3.11144949667537 -5.96771024643559 7.83017960491758 H -2.88461312293150 -4.41590507257559 7.04397109402591 H -4.21136973879359 -5.47521811414617 6.53560895688728 H -2.06621268089049 -8.27481024743426 5.26855132424160 H -2.49311733486327 -8.01652126607088 6.94218438949196 H -3.70699640397936 -7.77513413061663 5.69149522989197 H -0.68942159261763 -6.36894271150348 7.29777431764280 H -0.16936396923765 -6.65220959610991 5.64508718701263 H -0.66391034817572 -3.96851111140491 6.97714423754795 H -0.53410618017037 -4.15895079019235 5.21460123726550 H 1.73633799887846 -5.12075486677427 5.50189967908185 H 1.38538190516797 -4.36911362824633 8.43281086528086 H 1.54837838183336 -6.01080482007996 7.80281595725882 H 3.69954248703702 -5.17656803585343 8.68334950664642 H 3.79739072958337 -5.51174094040752 6.95532578573594 H 4.89480187588860 -3.37051427835793 7.44896473004132 H 3.43846066736169 -2.77018171556956 8.24046408539732 H 3.56533788252152 -1.88756975882877 5.94592071130250 H 3.71141042915831 -3.52189986384616 5.29826807803308 H 1.39709393643550 -2.70124390815361 5.07342778015888 H 1.31463192043761 -2.40072778746583 6.81174520253129 N -3.19274745838565 -2.91205935107201 5.17675759916310 H -2.25860307846539 -2.81189867742842 5.57318028890693 H -3.76858948312318 -2.21549460065802 5.64709946449139 122 energy: -139.424663646323 gnorm: 0.007595534637 xtb: 6.5.1 (b24c23e) N -3.25335024821337 -3.14015638261497 2.14797368854130 C -3.68323686390845 -3.78117435504148 0.91086281424884 C -3.27378385871958 -5.24751080286791 0.92787163996385 N -3.75874844785476 -5.83412179079201 2.17331091843706 C -5.16274977578441 -6.22739939944074 2.06275279524791 C -5.78085932540391 -6.06469411535590 3.44545722181546 N -5.46765144953734 -4.73215503159135 3.94839326281223 Mo -3.59243875948598 -4.15936691092321 3.80324594384596 N -2.50643180715005 -5.61613437264513 4.50757067119903 C -1.82098165487893 -6.37177943154332 3.47169990389220 C -2.90988865350345 -6.95931093428405 2.57300906148980 H -1.18740241696670 -7.16801661097672 3.86243205758849 H -1.17422330685275 -5.70897935309108 2.88192152519912 H -3.49791280329502 -7.67078723888503 3.15768694977672 H -2.49343035692278 -7.48182090494753 1.70393306039107 H -6.85547861819770 -6.23647007694124 3.36514202167814 H -5.37808016789530 -6.82794810264478 4.13053907113175 H -5.67206762627145 -5.54900604395507 1.37370885215530 H -5.27111753563521 -7.25243833984219 1.68642536087530 H -3.23140197860972 -3.32667318829302 0.02731651476284 H -4.77384542846142 -3.69368945150942 0.79290189855637 H -2.18211545863105 -5.29935450107595 0.90977401573994 H -3.66338058709795 -5.78092858020865 0.05048679399362 C -3.46402677469059 -0.95725375789362 0.98946669654923 C -2.57770728454022 -1.85954206546251 1.87719928930300 C -2.33193025336372 -1.04677044512424 3.15303467570787 C -1.20739825408173 -2.08662164463311 1.17913027870814 C -0.20855403383910 -2.85993645431794 2.04211813303667 C 0.99699074493479 -3.41660109546599 1.26898414305413 C 0.64960206384393 -4.57800154559290 0.33854288000427 C 1.84530037306405 -4.93437445293248 -0.55543185615102 C 3.18049353480035 -4.70194428269218 0.16148254401516 C 3.02078473147856 -4.92926648039357 1.65978579004814 C 2.06998701251778 -3.88876567429161 2.26632052807518 C -6.23701612000324 -2.76731723974010 5.22051674117517 C -6.64130214032029 -4.07869545835597 4.54309027808997 C -7.27928019237769 -4.96032022979677 5.63753369868934 C -7.72874742542143 -3.75778061958437 3.47899515553799 C -7.27785954278051 -2.74161194997928 2.42976844975799 C -8.13714788239689 -2.69225135887255 1.15389382596189 C -9.62177033135375 -2.47196405827900 1.44785981267093 C -10.37858002094820 -2.11836422921682 0.15930838406212 C -9.77465493479110 -2.81769341882047 -1.06529839101027 C -9.16144094834083 -4.15367796262538 -0.66277292286151 C -7.96576861396507 -3.94047952378660 0.27415806579422 C -3.18292485990713 -5.43418285993309 6.86536920874065 C -2.28045596344539 -6.15078108871357 5.85424967517594 C -2.66360730696592 -7.64555707457324 5.93628241809136 C -0.79076863705815 -6.00756616228527 6.27567034566696 C -0.23900011724557 -4.58375459442655 6.18033195134503 C 1.29172502147968 -4.49673315985710 6.28013722797225 C 1.82009577145923 -4.97155442771393 7.63524433080556 C 3.34206946920313 -4.85546010888608 7.69935807155733 C 3.79501391776681 -3.42140876823699 7.44351052972478 C 3.26491533792235 -2.93231132217332 6.09986938732698 C 1.74450923987380 -3.05135733964014 6.04743148231664 H -4.44344947099365 -0.84788965447927 1.44985635207215 H -3.59600444247019 -1.34172116402356 -0.01658702384445 H -3.01243580986172 0.02696308503681 0.90403846931839 H -1.84736887472059 -0.11138146355204 2.88315805285987 H -1.68003865148945 -1.56904559310111 3.84708328901210 H -3.27734231329163 -0.80834325991087 3.63864638868569 H -1.35926504344540 -2.61935761760461 0.24145472748344 H -0.78772241897532 -1.11251675365875 0.92661136780066 H -0.73730486440156 -3.68157581533870 2.54432966173771 H 0.18424606175677 -2.19593520914810 2.81336121758668 H 1.40687815268658 -2.60499742288472 0.66063506263350 H -0.19906274379535 -4.32718305875484 -0.29743306679179 H 0.37697205936408 -5.44316914806558 0.94551533421332 H 1.76591373402281 -5.98174131419956 -0.85248708392887 H 1.82081636520313 -4.33553760310396 -1.46736897102105 H 3.52849863754723 -3.68151514652001 -0.00665150610391 H 3.93941061960201 -5.37450650514000 -0.24194270205705 H 2.63647997858724 -5.93765361768212 1.82221636125929 H 3.99390576857265 -4.86922420427480 2.14997060342430 H 1.58234449687703 -4.32500695132132 3.13909716629388 H 2.64300302069090 -3.02524637191361 2.60713481467499 H -5.65414363533691 -2.97807487396271 6.11445413373175 H -5.66974043116524 -2.13949393647694 4.53415115906696 H -7.13156569181203 -2.22982208170112 5.52468973364287 H -8.05610268906331 -4.39782786927099 6.14783530154354 H -6.52953564362045 -5.24721696271155 6.37080181675279 H -7.73465811451336 -5.86076638201419 5.23753667382294 H -8.59977529742722 -3.36986498573558 4.00640247622859 H -8.04191288124331 -4.67603032730163 2.98505039998223 H -7.29259159273425 -1.74464171050578 2.87151837464394 H -6.24251741363026 -2.96691132023746 2.14895867666087 H -7.79247713219815 -1.82324350566514 0.58294942361381 H -9.74593489348613 -1.66418885971963 2.17030775365686 H -10.04381583951427 -3.37654844557784 1.88481589479487 H -10.36010112392544 -1.03871541776673 -0.00057991175330 H -11.42459405112189 -2.41001696012500 0.27031971611195 H -10.54707149312438 -2.97232126868052 -1.82069619508091 H -9.00166097211119 -2.19211799893743 -1.51504494817788 H -9.92768979894094 -4.75421375881097 -0.17022466617701 H -8.83988973104966 -4.69921622813228 -1.55198112606472 H -7.05702069719107 -3.82993335316940 -0.32121830629162 H -7.85477433716963 -4.82766457256561 0.89701152468061 H -3.13256814022137 -5.95180917171825 7.82076865312720 H -2.88166819276057 -4.40486140849073 7.02768254185069 H -4.21400980261896 -5.45379465816030 6.51027539901890 H -2.07166292236322 -8.27580386010233 5.28013165172572 H -2.50656061299450 -8.00208385412222 6.95038712439326 H -3.71555161856423 -7.77131988049230 5.69081443034957 H -0.70292726029863 -6.36478830785896 7.30093642019004 H -0.17485955802546 -6.65636058211725 5.65115475069163 H -0.66423910580578 -3.96997891134120 6.97567230355724 H -0.53646380788716 -4.16129268636154 5.21229638659936 H 1.73433523131622 -5.12634154888311 5.50108724543305 H 1.37975013008249 -4.36605897925815 8.42982103487679 H 1.53954285038107 -6.01123301857567 7.80570582450804 H 3.69386472942678 -5.18285857982364 8.68003792291449 H 3.78890279342711 -5.51215920304450 6.94961575676728 H 4.88582623548481 -3.37047380330373 7.45355789427292 H 3.42453653599930 -2.77339005502453 8.24065509430523 H 3.55977517704355 -1.89254351482379 5.94242535868937 H 3.70520516315406 -3.53029612815091 5.29992307678632 H 1.38964528269890 -2.70312491378434 5.07593391607724 H 1.31043349648600 -2.40880878361574 6.81639425299208 N -3.18630564705955 -2.92505834445395 5.19075331332887 H -2.23385594696617 -2.78831393544812 5.54318212039042 H -3.75528326225250 -2.23835548856778 5.68402023417125 122 energy: -139.425112141519 gnorm: 0.016673683462 xtb: 6.5.1 (b24c23e) N -3.25859797757944 -3.13612076425177 2.14324789546608 C -3.69003530196848 -3.78027883207734 0.90957751164553 C -3.27218745725329 -5.24508094786873 0.92720729004094 N -3.74851452294528 -5.83190395466339 2.17450051328439 C -5.15039704914616 -6.23203622588274 2.06960890962969 C -5.76114861374570 -6.06855300903715 3.45520317635297 N -5.45400029255056 -4.73197731824015 3.94636164209439 Mo -3.57915394088932 -4.15211280576280 3.80462377494780 N -2.49959262336948 -5.61387088628492 4.50420130923495 C -1.80980983554184 -6.36872296925076 3.47277977864803 C -2.89786882227064 -6.95539596873387 2.57155999761989 H -1.18062295437802 -7.16612769383120 3.86774465169269 H -1.16147259259182 -5.70660763407908 2.88452137762206 H -3.48366137391571 -7.66778720702631 3.15774138191524 H -2.48191861387910 -7.47557763269825 1.70127953393553 H -6.83526376700809 -6.24542585593423 3.38221297535446 H -5.34899825916068 -6.82597545953313 4.14136580197933 H -5.66878413407000 -5.55770466845622 1.38300600056919 H -5.25293628941257 -7.25858699470634 1.69640868526279 H -3.24324957457580 -3.32437073297496 0.02454822514567 H -4.78161540957963 -3.69847459588320 0.79691737683485 H -2.18013624699373 -5.28926086749751 0.90448572787799 H -3.66493053952899 -5.78134538622986 0.05337997571912 C -3.46753354620796 -0.95245875185055 0.98414527251909 C -2.58540562192122 -1.86005252064764 1.87326140326533 C -2.33850722524980 -1.05072269600004 3.15190460162478 C -1.21282846354878 -2.08326579777407 1.17669369489434 C -0.21764955150889 -2.86065932829447 2.04000907610325 C 0.98594941671023 -3.41838280993335 1.26619357011082 C 0.64062995313322 -4.58456731590219 0.34063299127044 C 1.83682810544424 -4.93129210863681 -0.55837715225588 C 3.17182131197815 -4.69472983108199 0.15940527691095 C 3.01165249817164 -4.92637832475645 1.65820220667785 C 2.06158908389594 -3.88393645718684 2.26348435505742 C -6.21843871654884 -2.76885309452160 5.21072631625242 C -6.62388810683939 -4.08198853217040 4.53702177158691 C -7.26429332464549 -4.96139514832747 5.63416880949593 C -7.71427296344309 -3.76268547240662 3.47474546375611 C -7.26545601964294 -2.74291819270925 2.42806273659309 C -8.12471249716976 -2.69657815145792 1.15295394871048 C -9.60876251682502 -2.48077854989828 1.45525595126593 C -10.37015665822123 -2.11835083617190 0.17124963353436 C -9.77021037203509 -2.81614209858192 -1.05702466552696 C -9.16064831976974 -4.15595288359625 -0.65685493526962 C -7.95651295707221 -3.94405802926036 0.27150853279360 C -3.19626817847043 -5.41409429706470 6.84908537303295 C -2.29013191897892 -6.14390735850805 5.84965064097875 C -2.68101571346804 -7.63772486761770 5.94088139247231 C -0.80230141856974 -6.00833635050380 6.28202810469772 C -0.24614149301546 -4.58729197847880 6.17839279306604 C 1.28374288701167 -4.50366509923241 6.27756787362389 C 1.80814709092010 -4.97544856146427 7.63515173348351 C 3.33119798765041 -4.86195119308545 7.69759749956059 C 3.78147651518704 -3.42542958438057 7.44625281023268 C 3.25626745541692 -2.93945684607797 6.09876169129741 C 1.73532871202587 -3.05783465505456 6.04747651100153 H -4.45541065822696 -0.85616047031350 1.43140573034121 H -3.57933662377846 -1.32555861752559 -0.03000018719442 H -3.01847378011808 0.03558367387528 0.91978585153744 H -1.85704187017136 -0.11226696536819 2.88765886880338 H -1.68267040503685 -1.57797784061034 3.83836768887287 H -3.28544404588641 -0.82301261450646 3.64064221649510 H -1.35970308882710 -2.61024611815428 0.23442446076891 H -0.79402444972982 -1.10624099369097 0.93336904928044 H -0.74884505493813 -3.68077028713773 2.54218146703884 H 0.17782009980592 -2.19768103033541 2.81060092910697 H 1.39112195359413 -2.60687731264464 0.65329869075580 H -0.21378267864876 -4.34241846013087 -0.29160690780490 H 0.37897855735585 -5.45162109110017 0.95075645941452 H 1.76246450107997 -5.97798222246942 -0.86078638878642 H 1.80673274159413 -4.32681259123657 -1.46701505914691 H 3.51451599792317 -3.67124090041056 -0.00488944934527 H 3.93425225515398 -5.36259923893325 -0.24541982235913 H 2.62387939209760 -5.93425043440925 1.81839352831412 H 3.98414670885201 -4.86878190257172 2.14993529897482 H 1.57589214747704 -4.31561644605659 3.14040989480162 H 2.63489775966895 -3.01747857523016 2.59745573004718 H -5.64769705032767 -2.98317340539542 6.11208163152590 H -5.63321677952959 -2.15432668687341 4.52589576777149 H -7.11115082377799 -2.21957681484943 5.49928626838881 H -8.02975143623105 -4.38891710541476 6.15190121192158 H -6.51121756294760 -5.26284097715026 6.35925286935215 H -7.73548828712762 -5.85384997772800 5.23194377256281 H -8.58464916584275 -3.37849712349256 4.00633881462688 H -8.02651453341933 -4.68078776259317 2.97919013559703 H -7.28915416130683 -1.74707991826934 2.87201541203772 H -6.22808457056849 -2.96106838763686 2.15036219375156 H -7.78361095731732 -1.82608106137826 0.58140417518184 H -9.73111487524797 -1.67983250202724 2.18594537515314 H -10.02687320746929 -3.39081418799983 1.88621514325321 H -10.34719388373695 -1.03750394704489 0.01720456307479 H -11.41711558144566 -2.40734605833220 0.28428922493153 H -10.54375026918142 -2.96575764941793 -1.81244343950216 H -8.99402445595775 -2.19228068612434 -1.50494859485961 H -9.92637810030928 -4.75122903586261 -0.15595470261392 H -8.84837838746113 -4.70576505999180 -1.54690748339910 H -7.05260866824114 -3.83256065210792 -0.33176557501274 H -7.83971740691069 -4.83243813758934 0.89277668900920 H -3.17200003640822 -5.92978474210314 7.80698561992847 H -2.87817000208599 -4.38902270113996 7.00963155204396 H -4.22092422011066 -5.41519379188859 6.47211308772648 H -2.08210004869162 -8.27524919972192 5.29642948669833 H -2.53348194221547 -7.98169961126702 6.96183147959769 H -3.73158006608850 -7.76389647608912 5.68660141807639 H -0.72574777308709 -6.35818718137831 7.31093835779185 H -0.18572272392925 -6.66536903496837 5.66632248120524 H -0.66839681728671 -3.96937269493055 6.97204241059776 H -0.54223406154576 -4.16811987139211 5.20863362822930 H 1.72783853015875 -5.13520051540946 5.50011407101944 H 1.36922223021125 -4.36341111080480 8.42647824841404 H 1.52337812663526 -6.01341810339063 7.81102801248386 H 3.68522725878071 -5.19487592145512 8.67574050916729 H 3.77522351042449 -5.51462849653788 6.94184810352564 H 4.87214504881342 -3.37004401931855 7.46327200676304 H 3.40194548041566 -2.77908525792809 8.24147753665947 H 3.55248240532228 -1.90074890950418 5.93628528203230 H 3.69557913283226 -3.54347613745263 5.30201562148791 H 1.37687195102330 -2.70558953388601 5.07852919213600 H 1.30253411970117 -2.41964394578488 6.82172862929937 N -3.15923677732256 -2.91152973946969 5.17753709451151 H -2.20392556522224 -2.76816434759504 5.51232453329333 H -3.73807529724880 -2.28430694680571 5.75482733895091 122 energy: -139.425571210102 gnorm: 0.009362007027 xtb: 6.5.1 (b24c23e) N -3.26389988909992 -3.13305584773477 2.14056938735423 C -3.69287597325406 -3.77997185864154 0.90691784349177 C -3.26852879937040 -5.24260642546491 0.92371543986952 N -3.73901892804561 -5.83347712633748 2.17217695425726 C -5.14134033989524 -6.23703054543328 2.07369471015879 C -5.74691378177094 -6.07274862870713 3.46065281197459 N -5.44418618256779 -4.73305539309025 3.94698321822802 Mo -3.57071340620369 -4.15092555499902 3.80538168338924 N -2.49273045177335 -5.61400001383188 4.50129046150478 C -1.80012674877236 -6.37087864968910 3.47311929474588 C -2.88531291372953 -6.95594625337214 2.56817019961427 H -1.17411160145511 -7.16910423698572 3.87292643083128 H -1.14804560304717 -5.71032523406902 2.88714976347283 H -3.47059706700484 -7.66987973966818 3.15314132135603 H -2.46896035547321 -7.47430438461987 1.69672724519885 H -6.82109903065863 -6.25408232884732 3.39416660933559 H -5.32848029585903 -6.82616498015287 4.14748913824002 H -5.66406679739051 -5.56462542985093 1.38838338238515 H -5.24172903989831 -7.26408928139452 1.70083772878659 H -3.25068747121789 -3.31885121799646 0.02189326058365 H -4.78517327001836 -3.70373019737165 0.79629384272743 H -2.17631213273185 -5.28230331442130 0.89937090319883 H -3.66051791228146 -5.78117029251986 0.05073544707314 C -3.47222484804911 -0.94940236649762 0.97910186621934 C -2.59168856000716 -1.85612437588879 1.87079668993998 C -2.34400984252116 -1.04745283221450 3.14954067863095 C -1.21867588512503 -2.08007185614086 1.17510673132727 C -0.22524623507739 -2.85974569233415 2.03761866569145 C 0.97712115751894 -3.41970050725726 1.26489201090179 C 0.63405410501829 -4.58832884171554 0.34152782902888 C 1.83014836315976 -4.92886598643750 -0.56041858960772 C 3.16547386657305 -4.69040267294897 0.15705585978534 C 3.00595519146475 -4.92350535154625 1.65593559850312 C 2.05652429011004 -3.88027139930754 2.26073194873687 C -6.20511426652266 -2.76699508507661 5.20669855433971 C -6.61260773653220 -4.08152537207987 4.53680327559209 C -7.25387886808673 -4.95983878601903 5.63482132013147 C -7.70178470722695 -3.76620528879416 3.47252267159059 C -7.25559376988361 -2.74405809932227 2.42747348051758 C -8.11597685565822 -2.69952722365376 1.15393224731541 C -9.59953454379668 -2.48568149751073 1.46049096911893 C -10.36394234947460 -2.11848645659496 0.17987459396230 C -9.76798223873893 -2.81578662887153 -1.05102534639964 C -9.15911626461831 -4.15692075235971 -0.65309773387559 C -7.94981665560771 -3.94549727881743 0.26930562304886 C -3.20654986684634 -5.40203251576926 6.84016711388446 C -2.29703553629692 -6.14104362517473 5.84994343039962 C -2.69414856153598 -7.63287176198594 5.94258905275630 C -0.81166958491336 -6.00894814770580 6.29056100329277 C -0.25216702785183 -4.59043386163524 6.17885064674543 C 1.27654062155021 -4.50706994668209 6.27837835534492 C 1.80076895078703 -4.97965248270165 7.63560146150225 C 3.32377493735151 -4.86680799599770 7.69797451239267 C 3.77327012479612 -3.42966384786431 7.44802309301213 C 3.25042840962854 -2.94452348209337 6.09911555012569 C 1.72958614331973 -3.06211783165485 6.04669404305858 H -4.46610415157168 -0.86258604924085 1.41601221043915 H -3.57010044764436 -1.31750254045172 -0.03893219048931 H -3.03020538917747 0.04282833967368 0.92539569737441 H -1.86859357475572 -0.10570657242344 2.88565761493292 H -1.68063341978830 -1.57237252154058 3.83069732719704 H -3.28927443342414 -0.82647922843143 3.64549139184349 H -1.36592598619109 -2.60410968783674 0.23055082117005 H -0.79895871929494 -1.10238494627613 0.93394430417087 H -0.75822176012498 -3.67906547808495 2.54045757595502 H 0.17157220363849 -2.19840999970751 2.80991239012617 H 1.38056978340047 -2.60916383436197 0.64840737593805 H -0.22509422199992 -4.35281499653260 -0.28802027977342 H 0.37867467412468 -5.45685706778676 0.95352971525275 H 1.75865761290647 -5.97478110899925 -0.86776093898993 H 1.79635721819759 -4.32067534574680 -1.46705605309859 H 3.50499262147645 -3.66502537230015 -0.00572677685058 H 3.93059918331137 -5.35444481522449 -0.24988380232390 H 2.61659967572546 -5.93147540097870 1.81545617946110 H 3.97837270071195 -4.86855151971758 2.14887393557495 H 1.57364395564220 -4.30925734763734 3.14145307774521 H 2.62968806817323 -3.01166474058981 2.59128005495313 H -5.64547393639023 -2.97894999281148 6.11613506573646 H -5.60669161645575 -2.16115960650989 4.52396067443080 H -7.09623404511224 -2.20754369603013 5.48198938263337 H -8.01039848614666 -4.38267999273832 6.16116757910729 H -6.49912866489887 -5.27366148810843 6.35368595731164 H -7.73717300702265 -5.84607206770741 5.23125436383344 H -8.57492716979776 -3.38604018329142 4.00346361597526 H -8.01021789050803 -4.68632283804284 2.97670072206181 H -7.28197780391938 -1.74813640253767 2.87247609626671 H -6.21678155098217 -2.95742110613741 2.15060543683829 H -7.77732418546006 -1.82833473150296 0.58105334617200 H -9.72157135642070 -1.68931408130465 2.19706898993867 H -10.01545628991496 -3.39893342779551 1.88842823357659 H -10.33856379074479 -1.03687596626255 0.02859399297543 H -11.41189708833144 -2.40459881589913 0.29488663796826 H -10.54254070477766 -2.96174347475128 -1.80660413027140 H -8.99075217181494 -2.19236501948228 -1.49905163851096 H -9.92347126244286 -4.75025724949284 -0.14656745537764 H -8.85344631042583 -4.71018341163952 -1.54378262574044 H -7.04852334599156 -3.83279544682634 -0.33875038724833 H -7.82763766662014 -4.83565774704930 0.88835168121702 H -3.20095098157528 -5.91879580633763 7.79802990928633 H -2.87711313768117 -4.38094060741932 7.00575550837301 H -4.22738410918866 -5.38845098150840 6.45094048491865 H -2.09149900559499 -8.27368270136138 5.30415518504512 H -2.55554564054365 -7.97346794926503 6.96629743660303 H -3.74352546482359 -7.75780849991808 5.68118002778861 H -0.74135263833412 -6.35328236839883 7.32230505235234 H -0.19425619948803 -6.67325517281531 5.68226340620140 H -0.67434217026296 -3.96602208680347 6.96842043673630 H -0.54775002430915 -4.17608270231294 5.20630036810345 H 1.72009608308444 -5.14001316930867 5.50081630367885 H 1.36194221138702 -4.36526018922063 8.42609847528865 H 1.51256422349197 -6.01674837630258 7.81433609479420 H 3.67978621507547 -5.20361824275803 8.67442483167378 H 3.76650608976573 -5.51795535883822 6.93934135075893 H 4.86403899160084 -3.37063036664048 7.47070392668596 H 3.38841099520740 -2.78405749637185 8.24212269238821 H 3.54905687204452 -1.90670899592675 5.93321154054236 H 3.68964208132605 -3.55131035730297 5.30357785859951 H 1.36919028211302 -2.70754101504860 5.07858848240481 H 1.29687541271938 -2.42411366644694 6.82210502220309 N -3.15475916084560 -2.92542412927248 5.19475444399295 H -2.19011717860357 -2.75463058585313 5.49640661294242 H -3.71766396111277 -2.29510740859942 5.76417109434317 122 energy: -139.425928306060 gnorm: 0.005906467812 xtb: 6.5.1 (b24c23e) N -3.26926557583952 -3.12979765392371 2.13559610307028 C -3.69487822048485 -3.78151380935845 0.90244612425919 C -3.26253523725294 -5.24137599072465 0.91931219415539 N -3.72805182703934 -5.83564057641476 2.16932474829587 C -5.13129538849518 -6.24144731007299 2.07741823223092 C -5.73153980281955 -6.07647549827812 3.46606002407254 N -5.43136707032498 -4.73421197099966 3.94937778951184 Mo -3.56130348644546 -4.14891075010785 3.80160529751764 N -2.48803948767865 -5.61356206688010 4.49860951282283 C -1.79055020431721 -6.37374745998693 3.47536547828551 C -2.87062028782788 -6.95711622173029 2.56394969982311 H -1.16820310283007 -7.17301045804766 3.88037501686077 H -1.13224621667633 -5.71533651086831 2.89351143861793 H -3.45630862063084 -7.67518928958223 3.14339625415215 H -2.45028123431773 -7.47152507136462 1.69169274293607 H -6.80556107892540 -6.26310017264317 3.40642324689487 H -5.30681369207705 -6.82618463510451 4.15294876411848 H -5.65648255718361 -5.57074690028327 1.39251375793429 H -5.23173022731075 -7.26897302388569 1.70533106167007 H -3.25795941324498 -3.31605802898884 0.01670600266948 H -4.78780957388995 -3.71225594086243 0.79260628127846 H -2.17026786425591 -5.27706308806171 0.89442246896038 H -3.65202975931922 -5.78244474897602 0.04637724408202 C -3.47918283864157 -0.94740956598976 0.97218623036631 C -2.59804869751157 -1.84998097150596 1.86629134064555 C -2.35219014471656 -1.04011766591319 3.14430433407819 C -1.22451689805977 -2.07590545141109 1.17277082772078 C -0.23341852374830 -2.85830642288252 2.03485450201763 C 0.96828552699671 -3.42001394529891 1.26300629511742 C 0.62729310761472 -4.59105225321793 0.34212422170903 C 1.82222128649791 -4.92593249878048 -0.56256031373209 C 3.15790935946416 -4.68623398598745 0.15372739750398 C 2.99961813104539 -4.91971170588315 1.65226770233481 C 2.05106035443553 -3.87651110439126 2.25738067669439 C -6.19209397113514 -2.76287288719456 5.20315449024185 C -6.60064973943806 -4.07978793665349 4.53846442994734 C -7.24242946658715 -4.95539729496354 5.63787794551086 C -7.68765108220916 -3.76964788280667 3.47141057969210 C -7.24459249145528 -2.74602103856936 2.42710636081225 C -8.10735272602856 -2.70159742561999 1.15576061734092 C -9.59033622785442 -2.48966445017581 1.46579251781275 C -10.35703484665617 -2.11890267266119 0.18855954560525 C -9.76575973277421 -2.81616964700615 -1.04447847873085 C -9.15629926401972 -4.15721746508806 -0.64871396192937 C -7.94290622881544 -3.94577143321700 0.26766979596340 C -3.21715857534112 -5.39494976098666 6.83475061346185 C -2.30441435670526 -6.13939414333640 5.85179447595077 C -2.70805400283740 -7.62842177148704 5.94239582575459 C -0.82245027999104 -6.00922708498682 6.30215018521013 C -0.25887941505354 -4.59345056568835 6.18121198547614 C 1.26907767556303 -4.51085772641074 6.28079441933086 C 1.79381012743445 -4.98400032490109 7.63752136875410 C 3.31624372407720 -4.87216183875822 7.69935622795452 C 3.76509649584442 -3.43505932999408 7.45038896237247 C 3.24456035410442 -2.95095512711252 6.10057578294965 C 1.72408448535850 -3.06679888979197 6.04715225753317 H -4.47773945090473 -0.87095885347928 1.39958378603891 H -3.56466911847405 -1.31187314771511 -0.04777734570214 H -3.04806014526316 0.04947223506294 0.92581975276022 H -1.88667707048222 -0.09374637561369 2.87851028940316 H -1.67922802718206 -1.55785135757779 3.82175803689519 H -3.29524097624973 -0.82633935840524 3.64801783077421 H -1.37324324168771 -2.59867652079239 0.22756549291265 H -0.80291467714283 -1.09891285505691 0.93140942542506 H -0.76904665787768 -3.67685647769153 2.53773731524543 H 0.16412627158904 -2.19886947658924 2.80918418507429 H 1.37077616528303 -2.61105932034529 0.64354187371936 H -0.23550844232914 -4.36084065321260 -0.28485510697644 H 0.37720310167229 -5.46049693741871 0.95534077204915 H 1.75265250646914 -5.97072245264993 -0.87421809524146 H 1.78542552323725 -4.31478023269150 -1.46718779198922 H 3.49555235194082 -3.66014513472766 -0.00889819574345 H 3.92443968008738 -5.34770793036209 -0.25504431616281 H 2.61002797894164 -5.92772427867564 1.81192020583821 H 3.97221703917409 -4.86651707197871 2.14549696262680 H 1.57211531783610 -4.30342078141089 3.14157924400555 H 2.62404115161411 -3.00613556434426 2.58428655944348 H -5.64359808877052 -2.96810917225799 6.12094365557661 H -5.58300565157078 -2.16497726474955 4.52270855208389 H -7.08197191957153 -2.19474903431378 5.46464130230897 H -7.98859832128215 -4.37393278213917 6.17399767962699 H -6.48669859350752 -5.28187531066033 6.34993677871803 H -7.73851720131535 -5.83438953302411 5.23385370445285 H -8.56558784345085 -3.39468508024123 3.99870424959284 H -7.98841397072288 -4.69248909161083 2.97524881538578 H -7.27083817163299 -1.75008397059875 2.87284318194708 H -6.20532351591053 -2.95631863732313 2.14905712934343 H -7.77108422184656 -1.82975549975532 0.58217188609475 H -9.71209265703247 -1.69670751003038 2.20633270860071 H -10.00467369194691 -3.40477211391611 1.89153928777854 H -10.32965210478181 -1.03714194810462 0.03837422115571 H -11.40563245707924 -2.40186682836913 0.30611738456749 H -10.54213275410991 -2.96014204909797 -1.79874296595139 H -8.98933707420274 -2.19294174244916 -1.49442290834754 H -9.91835409845879 -4.74991389362043 -0.13784961904990 H -8.85596754208842 -4.71258209900768 -1.54004737580225 H -7.04457144062323 -3.83014628942639 -0.34455861549499 H -7.81489583933216 -4.83771084942166 0.88344148494746 H -3.22920352848187 -5.91735178686232 7.78905395835641 H -2.87721950893430 -4.37954520411439 7.01317221139912 H -4.23359149465603 -5.36578837537597 6.43556656280128 H -2.10385542741375 -8.27094835241894 5.30792790163240 H -2.57889153159853 -7.97053594637464 6.96637971856139 H -3.75594193325579 -7.74977747432522 5.67378263979774 H -0.75844139687000 -6.34644287620768 7.33690507070077 H -0.20360242885074 -6.68104380256154 5.70294240576831 H -0.68195553519077 -3.96074730323842 6.96455334105914 H -0.55346871575639 -4.18615640984789 5.20482054080508 H 1.71111180127309 -5.14470266553212 5.50268519616731 H 1.35492981440035 -4.36997116685822 8.42852017305904 H 1.50378416384297 -6.02067498520227 7.81632698818325 H 3.67348510546217 -5.21096142483233 8.67472063222111 H 3.75845091187232 -5.52277476089823 6.93978379717520 H 4.85569281372372 -3.37356879959162 7.47697111235267 H 3.37711812907693 -2.78978931609950 8.24334000745053 H 3.54557552343307 -1.91400932480369 5.93281973548320 H 3.68407210254948 -3.55894056520751 5.30588416539599 H 1.36410438996121 -2.71264170473562 5.07841914930093 H 1.29104227513245 -2.42617892270968 6.82053208241301 N -3.14402354707610 -2.92598514171166 5.19611931510271 H -2.17982965377016 -2.74705277027788 5.48524333071524 H -3.70561463956106 -2.31611022860344 5.78353590047574 122 energy: -139.426313423806 gnorm: 0.004631015836 xtb: 6.5.1 (b24c23e) N -3.27699938037128 -3.12698843569228 2.12938931847953 C -3.69621404470643 -3.78438341011747 0.89621984552926 C -3.25160901016646 -5.24022484781922 0.91423019097536 N -3.71034795686670 -5.83772745612485 2.16647632921126 C -5.11453236000146 -6.24598614692781 2.08380652576964 C -5.70682641142083 -6.07934605831338 3.47555771680803 N -5.40969931139023 -4.73362527865578 3.95384836658540 Mo -3.54493105747087 -4.14558037529106 3.79694064187513 N -2.48237536370554 -5.61355787230956 4.49723813070699 C -1.77689621550324 -6.37758917029776 3.48184728066292 C -2.84776006115616 -6.95781771681738 2.55783825098853 H -1.16095080232520 -7.17888996589878 3.89382346979347 H -1.10831197374050 -5.72210300599453 2.90760194569556 H -3.43386950992041 -7.68545782592554 3.12474889207804 H -2.41769721466799 -7.46238733093061 1.68418746224120 H -6.78004253148221 -6.27433662624277 3.42597580629349 H -5.27170260021016 -6.82345948690990 4.16173471011460 H -5.64304921028432 -5.57807701641367 1.39908507937122 H -5.21622941681945 -7.27448183004526 1.71423525216064 H -3.26645298093284 -3.31434954429361 0.00901802862681 H -4.78986430407835 -3.72619232408951 0.78690148659716 H -2.15929259341784 -5.26956770629391 0.88924650479194 H -3.63698870389779 -5.78502886939911 0.04128393330587 C -3.49201948338525 -0.94834554661393 0.95854315715158 C -2.60903787087666 -1.84255923877873 1.85743799827203 C -2.36907916316586 -1.02822473735627 3.13339057104453 C -1.23408915454812 -2.06959452660261 1.16799128987374 C -0.24670708056708 -2.85557777908079 2.03069936686558 C 0.95478742066869 -3.41865312536406 1.25954078025961 C 0.61603381832459 -4.59294752146850 0.34222596715052 C 1.80865018981615 -4.92052527147087 -0.56644335155390 C 3.14514108346245 -4.67964028630865 0.14749325094739 C 2.98930951833944 -4.91293337547415 1.64556897753274 C 2.04202999146091 -3.87005101600659 2.25173450061285 C -6.17459538587358 -2.75433354317572 5.19682382263694 C -6.58219168954389 -4.07566233225092 4.54039940837928 C -7.22352354153545 -4.94643307049109 5.64263659916185 C -7.66604129640046 -3.77531457880876 3.46913509533260 C -7.22706670230602 -2.74919852013662 2.42642417005978 C -8.09440144227788 -2.70319241691008 1.15866544788505 C -9.57641628670427 -2.49444916839629 1.47430922392340 C -10.34635087392975 -2.11939753958228 0.20166559862867 C -9.76249629835664 -2.81727569026267 -1.03422770460958 C -9.15062137198272 -4.15726633441748 -0.64153244019973 C -7.93155770038051 -3.94450008903266 0.26558443951935 C -3.23322985052482 -5.38905648654959 6.82983987667395 C -2.31529945594974 -6.13872432718890 5.85627741959657 C -2.72825943693284 -7.62365364775604 5.94059448873630 C -0.83862903544874 -6.01072863403468 6.32090983181397 C -0.26924766538238 -4.59854761878685 6.18545038908021 C 1.25820951335947 -4.51799196503291 6.28562427481793 C 1.78307958398679 -4.99203979893960 7.64191330797211 C 3.30464634876615 -4.88108558241139 7.70325378518401 C 3.75328041302641 -3.44447821304773 7.45497262625143 C 3.23575382725436 -2.96176105618589 6.10413518986049 C 1.71578930853518 -3.07505702878142 6.04855263775434 H -4.49642858060237 -0.88924518762292 1.37362900251728 H -3.55954308954145 -1.30821380505729 -0.06368841437898 H -3.07855460981120 0.05599150473397 0.92197322446754 H -1.92224584747782 -0.07374996483517 2.86236217596238 H -1.68078058528570 -1.53047643389429 3.80761344508350 H -3.31021028198985 -0.82743542496748 3.64619314473805 H -1.38363616182928 -2.59201873303839 0.22279156138453 H -0.80922239385806 -1.09397698943077 0.92655588614869 H -0.78653829961876 -3.67340339046959 2.53216251091809 H 0.15141233258590 -2.19881956920544 2.80744111041301 H 1.35536703934432 -2.61172891664390 0.63671527501884 H -0.25082984205743 -4.36870724110172 -0.28118878703953 H 0.37385977750817 -5.46325447988957 0.95699916411522 H 1.74130276634151 -5.96369640599443 -0.88308576342199 H 1.76787303978754 -4.30558748803140 -1.46807131435486 H 3.48149025429585 -3.65354653627775 -0.01599051532449 H 3.91195373294486 -5.33963613675606 -0.26288263094493 H 2.60050606421375 -5.92095709780806 1.80598535504820 H 3.96251908092951 -4.86035190976220 2.13779946114791 H 1.56877235301107 -4.29488882946626 3.13976465772073 H 2.61484503023998 -2.99759868642247 2.57304772885435 H -5.64351047726011 -2.94926251731020 6.12699078545957 H -5.55059154514083 -2.16808728401982 4.52019734263700 H -7.06423845266718 -2.17658079638631 5.43697704804076 H -7.95256810843943 -4.35684984432243 6.19301471728429 H -6.46608043829760 -5.29107076755187 6.34366659373255 H -7.73978735539639 -5.81380438097562 5.23925399523986 H -8.55142829531416 -3.40868373228601 3.99002806944485 H -7.95302529189390 -4.70185219784136 2.97158519577773 H -7.25142981223659 -1.75386415039243 2.87388509856865 H -6.18849584873417 -2.95778115558614 2.14463798786453 H -7.76193858050285 -1.82980843299218 0.58553627104392 H -9.69719340652943 -1.70510909289978 2.21866393547409 H -9.98842204419117 -3.41158570860204 1.89715803735478 H -10.31582658460961 -1.03782673555080 0.05211165035863 H -11.39547625191170 -2.39806165737005 0.32331146457534 H -10.54289680733049 -2.96097474964929 -1.78428304555802 H -8.98899718212299 -2.19418126322117 -1.48895543916275 H -9.90858922513589 -4.74985270981245 -0.12504879799762 H -8.85660337839178 -4.71389024948626 -1.53408376317033 H -7.03844846691977 -3.82283696011862 -0.35296548447525 H -7.79483966588216 -4.83823297252011 0.87661399946834 H -3.27236246340867 -5.92360532961440 7.77670214892762 H -2.87727135164438 -4.38326860461542 7.03093838225544 H -4.24165704027645 -5.33508093796800 6.41462107052489 H -2.12340981533483 -8.26828549721930 5.31021366366176 H -2.61248304374057 -7.97024024550796 6.96404530238733 H -3.77405749433559 -7.73708781917600 5.66167171534914 H -0.78634876850741 -6.33427027317605 7.36088248842858 H -0.21638086750897 -6.69349903270509 5.73745761984269 H -0.69335458542512 -3.95381497014583 6.95902345066013 H -0.56132599345737 -4.20253998477273 5.20316872079359 H 1.69813737053729 -5.15282585650119 5.50729684667299 H 1.34426246483392 -4.37960881146014 8.43385920451606 H 1.49214772070903 -6.02862818294120 7.81874087840831 H 3.66241282586401 -5.22058822677061 8.67802522674356 H 3.74666106566416 -5.53152370482628 6.94374531868102 H 4.84349131664713 -3.38128682919542 7.48496737811144 H 3.36247282931289 -2.79936533649750 8.24619477327787 H 3.53926674417507 -1.92574023003966 5.93538300764445 H 3.67579197865751 -3.57075314669488 5.31078891763135 H 1.35843834089228 -2.72409269420195 5.07760965223171 H 1.28205909187817 -2.42977074630497 6.81749513724731 N -3.12437473643087 -2.92287180208876 5.19393346867722 H -2.15651365753356 -2.72405971376450 5.45771284904770 H -3.69260270818757 -2.35567657546999 5.82076167296568 122 energy: -139.426510401870 gnorm: 0.007116078532 xtb: 6.5.1 (b24c23e) N -3.28142585740983 -3.12678867574804 2.12475359884931 C -3.69553715283511 -3.78853356552628 0.89204834008746 C -3.24099177484594 -5.24116148388185 0.91210105013288 N -3.69434156053114 -5.83882243147409 2.16623015325480 C -5.09881940868181 -6.24768723545676 2.09051865762145 C -5.68450358411484 -6.07832333439070 3.48523503540861 N -5.38994859978048 -4.72948827996561 3.95705513184286 Mo -3.52830543424417 -4.14150526384001 3.79493456970488 N -2.47895046104185 -5.61528572617759 4.49869909228644 C -1.76571359562003 -6.38011155729187 3.48991011419515 C -2.82808046443820 -6.95767722330968 2.55386086785285 H -1.15518759515094 -7.18309517794709 3.90647969888007 H -1.08929394717683 -5.72579331326904 2.92289098381520 H -3.41386077953506 -7.69560495907301 3.10770027755420 H -2.38738985123318 -7.45073280641099 1.67884555780805 H -6.75656097278562 -6.28004498271773 3.44369022671490 H -5.24001220229438 -6.81747999999438 4.17050361713656 H -5.63016168512378 -5.58219296213462 1.40578301910053 H -5.20247445088273 -7.27729120117647 1.72452744341555 H -3.27022669699713 -3.31742172230615 0.00346535149952 H -4.78944204725567 -3.73875372291155 0.78260670472801 H -2.14856270234078 -5.26417348507869 0.88722936854671 H -3.62329235492637 -5.78955477886019 0.03984151616085 C -3.50614766561475 -0.95379054491808 0.94406009143936 C -2.61959352853313 -1.83814682160543 1.84844001601857 C -2.38773523966550 -1.01641129780038 3.12100036264182 C -1.24276118230803 -2.06404779407300 1.16331709159019 C -0.25808220513065 -2.85197862104269 2.02761572506355 C 0.94358527872525 -3.41487717408764 1.25595838154380 C 0.60524371877241 -4.59116444698089 0.34101358080091 C 1.79560485498363 -4.91489199261560 -0.57100137785055 C 3.13327849822766 -4.67402156250939 0.14065294428457 C 2.98014117413934 -4.90603229442023 1.63891015537389 C 2.03354287833834 -3.86350849756976 2.24649762378696 C -6.16218036453086 -2.74502465827001 5.19050703234247 C -6.56623665253088 -4.07061295361933 4.54063492472413 C -7.20636054868447 -4.93733910914188 5.64579179288204 C -7.64799002652275 -3.77962159392733 3.46619539814529 C -7.21176375337006 -2.75121125942920 2.42509302787881 C -8.08367168216348 -2.70241104313209 1.16056568182332 C -9.56478939844762 -2.49668968835243 1.48172973551510 C -10.33802110386986 -2.11945053445331 0.21225535033569 C -9.76072155593866 -2.81874950283208 -1.02589874082689 C -9.14479602105214 -4.15717145198019 -0.63546339093515 C -7.92130459203436 -3.94152808646340 0.26407157250073 C -3.24580578283274 -5.38903424387708 6.82799635020986 C -2.32354561688753 -6.14095473224311 5.86066313064656 C -2.74326096838029 -7.62331252194549 5.93882055814575 C -0.85123883975133 -6.01399324493371 6.33690696567944 C -0.27736849474853 -4.60431698557969 6.18962288104335 C 1.25023473063490 -4.52623498451812 6.29034701490564 C 1.77410833829593 -5.00031564808584 7.64704462760704 C 3.29536930616157 -4.88960775477936 7.70890610851816 C 3.74436622834667 -3.45346989032808 7.46000002210012 C 3.22892431963752 -2.97162591812246 6.10829418308279 C 1.70912941116153 -3.08387463740554 6.05056240495127 H -4.51443479204486 -0.90958407169128 1.35065022859263 H -3.55961803692440 -1.31111312552572 -0.07952074384872 H -3.10712557023648 0.05639703272639 0.91337614314451 H -1.95962444239536 -0.05443174361778 2.84423300053361 H -1.68660786460950 -1.50236042562077 3.79424935397461 H -3.32939889785560 -0.82981141952332 3.63800882744381 H -1.39028583690616 -2.58676629211806 0.21812460436993 H -0.81635020732130 -1.08892432819785 0.92304905052285 H -0.80063064602043 -3.66991140687967 2.52679820663286 H 0.13983694160635 -2.19690289836375 2.80559151674163 H 1.34196735080109 -2.60871524069881 0.63151457704308 H -0.26366275948915 -4.36959138489500 -0.27984288314612 H 0.36856098612734 -5.46160148107197 0.95696100271064 H 1.72888310757457 -5.95709885234575 -0.88996457209796 H 1.75204529735355 -4.29770261824225 -1.47061119885558 H 3.47019948347155 -3.64871829630083 -0.02460368226552 H 3.89858063592339 -5.33529751247019 -0.27000278702811 H 2.59280225317383 -5.91408558582369 1.80088196812811 H 3.95421761940428 -4.85192894527830 2.12904260342190 H 1.56381171135537 -4.28760864292689 3.13622647757841 H 2.60634728565263 -2.98997527037523 2.56383473392511 H -5.64496553922611 -2.93241217294443 6.12967486609085 H -5.52748346212994 -2.16716176871984 4.51761468895692 H -7.05309807848555 -2.16299346351093 5.41371062270339 H -7.92083024076868 -4.34008372084453 6.20668034850160 H -6.44722656421684 -5.29560201907790 6.33741807595335 H -7.73923166859723 -5.79500062385567 5.24414537647578 H -8.53898873136707 -3.42014259411261 3.98215058395175 H -7.92332813150095 -4.70847441747671 2.96701636353718 H -7.23335479717827 -1.75705102085305 2.87481967454125 H -6.17494709582494 -2.96092794321410 2.13876586237701 H -7.75466587156736 -1.82708906842602 0.58899820229580 H -9.68390088326873 -1.70883102525910 2.22750556323602 H -9.97468126957789 -3.41489526871938 1.90328008395615 H -10.30470518635080 -1.03818837798915 0.06256147312359 H -11.38729312658300 -2.39504029911868 0.33785976904779 H -10.54576409709106 -2.96498232681778 -1.77040966092064 H -8.99111692715718 -2.19553644594300 -1.48655594191572 H -9.89864831833843 -4.75069567363218 -0.11467409525943 H -8.85440532551093 -4.71339683914470 -1.52923652502276 H -7.03302975666918 -3.81403154536135 -0.35978284927952 H -7.77718759926086 -4.83570253141446 0.87202767994917 H -3.30729533059502 -5.93508681811641 7.76744714107237 H -2.87749320715607 -4.39175564908299 7.04848804383639 H -4.24630342002358 -5.31444304357091 6.39886922541856 H -2.13910770553909 -8.26962730339630 5.31008359705899 H -2.63627768906479 -7.97441292471702 6.96148214860597 H -3.78775321383383 -7.72917020132930 5.65281140976931 H -0.81014173561427 -6.32433408700258 7.38138634960172 H -0.22557101100667 -6.70518400855973 5.76772087776137 H -0.70148381324974 -3.95119426940626 6.95585434499865 H -0.56683892131700 -4.21690183102638 5.20322758861038 H 1.68906655984765 -5.16201534452309 5.51264745760873 H 1.33486470748182 -4.38946588982560 8.43947040699066 H 1.48379663347328 -6.03728877823880 7.82119936782153 H 3.65208070458958 -5.22753077464368 8.68445104628007 H 3.73794902259604 -5.54080545936796 6.95079645283456 H 4.83433644957120 -3.39094499774332 7.49038116920990 H 3.35316158818380 -2.80779841283855 8.25005758336939 H 3.53291436589812 -1.93575154469644 5.94018721176448 H 3.66970234526253 -3.58080855887238 5.31594676996350 H 1.35498219767245 -2.73737946023531 5.07700830848349 H 1.27419443901910 -2.43499859452407 6.81539401729341 N -3.10644218507962 -2.91585280712104 5.18895798509726 H -2.14720793063505 -2.71321271942915 5.45446495082835 H -3.67513313363969 -2.37346148607457 5.83056435333453 122 energy: -139.426655415902 gnorm: 0.004533559822 xtb: 6.5.1 (b24c23e) N -3.28523225513179 -3.12655377490553 2.12042031457857 C -3.69490145719232 -3.79278936552431 0.88906097936404 C -3.23200334394984 -5.24287403835221 0.91162294727615 N -3.67956990591980 -5.84029988458951 2.16717725486296 C -5.08381114039341 -6.24978773708679 2.09810264011106 C -5.66378576149437 -6.07705554029587 3.49536160292188 N -5.37325856053129 -4.72529245590217 3.95955421077562 Mo -3.51352686464842 -4.13816471841898 3.79317226378207 N -2.47505091606682 -5.61668808988370 4.50056630344754 C -1.75504008035753 -6.38153130632064 3.49784260413965 C -2.81023581496458 -6.95739315795164 2.55176627116331 H -1.14923499173874 -7.18569688336401 3.91853969226828 H -1.07334323407271 -5.72776682694643 2.93646355491928 H -3.39452631096202 -7.70376215115052 3.09552522251229 H -2.36078774935780 -7.44035122092409 1.67582050518946 H -6.73466317337231 -6.28444399637391 3.46115229756675 H -5.21028100039223 -6.81091634405809 4.18026423963941 H -5.61882517837188 -5.58665858256014 1.41395071986773 H -5.18856187458354 -7.28044152899807 1.73574819443351 H -3.27233125881605 -3.32163240284715 -0.00037751536150 H -4.78883093932864 -3.74956422251060 0.77958253178428 H -2.13945798113477 -5.25885080588680 0.88594727604629 H -3.61224576230206 -5.79510614264245 0.04098000517342 C -3.52024229238635 -0.96064791011516 0.92920460875848 C -2.63043490314319 -1.83555245136724 1.84009680932760 C -2.40738363671880 -1.00666885324504 3.10976251494803 C -1.25115137016222 -2.05819260845774 1.15930192436520 C -0.26838604011882 -2.84737748513650 2.02506754889212 C 0.93306527907604 -3.41026193421412 1.25260348651401 C 0.59445246969857 -4.58798340764929 0.33941338078167 C 1.78305156650438 -4.90934575338823 -0.57578177738372 C 3.12206984786560 -4.66880668117540 0.13387515403412 C 2.97149606627044 -4.89930369038528 1.63285861481136 C 2.02526000467315 -3.85672211749375 2.24150947420941 C -6.14968572966000 -2.73621747038186 5.18329073031171 C -6.55098399763238 -4.06577040356017 4.53933897492154 C -7.19084265531292 -4.92894101528799 5.64748075699465 C -7.63145419032789 -3.78267854175717 3.46234789148208 C -7.19763382131033 -2.75171960365344 2.42291943990427 C -8.07333778023914 -2.70075825143770 1.16115662005336 C -9.55358775135964 -2.49816422842578 1.48819984453936 C -10.33108974036818 -2.11916621221878 0.22171925933053 C -9.76008153017327 -2.81995452703098 -1.01881377836370 C -9.13948567094557 -4.15705152463351 -0.63041076763959 C -7.91126783389210 -3.93781889576669 0.26181988971940 C -3.25714453047105 -5.38711545980136 6.82406965843260 C -2.33081902019183 -6.14290009677616 5.86316537437466 C -2.75552628817373 -7.62412023522939 5.93840511428049 C -0.86208444109618 -6.01826154192333 6.35042155405881 C -0.28411270732905 -4.61095939541029 6.19327906284306 C 1.24354898240027 -4.53537932814966 6.29455167421243 C 1.76546847776902 -5.00878132865022 7.65216700900239 C 3.28688311921855 -4.89804441646821 7.71555632916897 C 3.73645975949335 -3.46210876331498 7.46549471099537 C 3.22292537111728 -2.98111149282461 6.11258288709664 C 1.70309290334256 -3.09352937094749 6.05257961781104 H -4.53243990231166 -0.92973464717593 1.32747398367731 H -3.56013938977915 -1.31637383976181 -0.09580959761313 H -3.13300953476600 0.05430801037992 0.90366047216822 H -1.99561033093054 -0.03855835275414 2.82933782917644 H -1.69625158176339 -1.47924527553731 3.78196691117908 H -3.35090511463489 -0.83455231688537 3.62844441867664 H -1.39449342422543 -2.57971461310359 0.21279534043377 H -0.82484590328618 -1.08225782761334 0.92261331903095 H -0.81251752062962 -3.66550162173722 2.52244508405538 H 0.12947066570379 -2.19331642163636 2.80356652888502 H 1.32901150838389 -2.60422459619063 0.62675194491282 H -0.27625472927503 -4.36856010878574 -0.27934013358907 H 0.36236899969323 -5.45848639182479 0.95665358393065 H 1.71643930581809 -5.95098449797037 -0.89638088380788 H 1.73696796377253 -4.29024025314559 -1.47384628200766 H 3.45958091781808 -3.64402351010441 -0.03289911378031 H 3.88589803110557 -5.33163174004382 -0.27681598104921 H 2.58524313379688 -5.90737860051378 1.79650556944261 H 3.94643912291919 -4.84340110887274 2.12080763375006 H 1.55768469810082 -4.28036524510573 3.13236359153766 H 2.59822867252934 -2.98250923400103 2.55605784335342 H -5.64356499884693 -2.91821119106555 6.12925587532582 H -5.50537991166851 -2.16612542653154 4.51315025623818 H -7.04147727298391 -2.15026763185253 5.39200737363308 H -7.89227133961684 -4.32418535552364 6.21680251060598 H -6.43000576252049 -5.29936940209279 6.33063297844617 H -7.73867034816345 -5.77803174654251 5.24770991547559 H -8.52602453049368 -3.42889164352052 3.97555790238328 H -7.89871221043188 -4.71288868026133 2.96188477458129 H -7.21791408468526 -1.75883375153603 2.87494830923124 H -6.16227392622945 -2.96208880302358 2.13328799616874 H -7.74794186829135 -1.82338454980916 0.59094387367380 H -9.67091873817257 -1.71169311707250 2.23560122426862 H -9.96088847107273 -3.41775048051141 1.90889770815459 H -10.29506810330416 -1.03800086892098 0.07234539380205 H -11.38046595874908 -2.39219069970695 0.35143532344534 H -10.54961664416737 -2.96904948247507 -1.75790514730481 H -8.99413288810896 -2.19650882999938 -1.48512480236864 H -9.88918034729490 -4.75147645281882 -0.10474877505225 H -8.85272620263875 -4.71308848148822 -1.52542642512201 H -7.02775086217927 -3.80553097469150 -0.36757673883041 H -7.75988862628967 -4.83202982055515 0.86765001972761 H -3.33970819145619 -5.94075261555984 7.75790025051330 H -2.87769335759563 -4.39717120009324 7.05813344374449 H -4.24989854177913 -5.29448779789748 6.38115379744705 H -2.15129041205140 -8.27240085920009 5.31146112628350 H -2.65445307315586 -7.97688447078258 6.96123468303201 H -3.79904290088410 -7.72534612252888 5.64750160245505 H -0.83172533397958 -6.31686043508939 7.39863657571861 H -0.23372144476928 -6.71701082786911 5.79409822126620 H -0.70692827929686 -3.95179223916179 6.95452889915929 H -0.57141747603670 -4.22965388265759 5.20415450682858 H 1.68208921553614 -5.17263858374667 5.51817123828507 H 1.32546525297302 -4.39772544576202 8.44377452585130 H 1.47521039334969 -6.04582821745202 7.82563362198965 H 3.64219974183607 -5.23447644255250 8.69208650214731 H 3.72999287875411 -5.55003364280118 6.95859564068193 H 4.82638734875564 -3.40042005658071 7.49643345925204 H 3.34459634157324 -2.81563294614097 8.25445154570221 H 3.52663837193350 -1.94519107234561 5.94471622391004 H 3.66462655805921 -3.59090007469291 5.32141308028087 H 1.35085435459826 -2.74984892139833 5.07743995396934 H 1.26698106444948 -2.44321310167117 6.81525216227570 N -3.09051617657012 -2.91701339187020 5.19055192763557 H -2.12407907501781 -2.68497042137145 5.42999793392306 H -3.66436111269964 -2.40470347462452 5.85800575955195 122 energy: -139.426772175204 gnorm: 0.003660504359 xtb: 6.5.1 (b24c23e) N -3.28494593084701 -3.12890858721680 2.11803287953673 C -3.69237261801913 -3.79748309368010 0.88765796109227 C -3.22720982405425 -5.24663488989396 0.91312389444462 N -3.67253184732337 -5.84221273798824 2.16936372396519 C -5.07664685489578 -6.25046789329990 2.10318943439985 C -5.65505150167909 -6.07435246972074 3.50106074993258 N -5.36668804241947 -4.72132476792434 3.96052487797435 Mo -3.50636892997320 -4.13713122326001 3.79283002275002 N -2.47328993815824 -5.61879807987875 4.50385734735395 C -1.75027810438023 -6.38206235615749 3.50309629260408 C -2.80217407375983 -6.95816202786126 2.55306825659666 H -1.14561509844188 -7.18607804485376 3.92485176932502 H -1.06794203543078 -5.72746001385591 2.94391467914565 H -3.38492233482353 -7.70825533647873 3.09244930242302 H -2.34834021359036 -7.43610161775146 1.67727321077312 H -6.72522528544581 -6.28339045618053 3.46941538128183 H -5.19809125404541 -6.80533414744381 4.18632359249500 H -5.61261829650369 -5.58816417410988 1.41898657153500 H -5.18293462185558 -7.28171271381166 1.74335362010910 H -3.26841672052645 -3.32849251366297 -0.00186853333374 H -4.78589453436858 -3.75537979233521 0.77680060167621 H -2.13466082059722 -5.25912280516830 0.88710895576022 H -3.60650574309735 -5.80142282961876 0.04391825115016 C -3.53035517458656 -0.96892344719420 0.91844300063162 C -2.63721350345582 -1.83610016618403 1.83448004134746 C -2.42242458721969 -1.00147272975795 3.10200731239440 C -1.25544543028806 -2.05318926128831 1.15713013297219 C -0.27243231162815 -2.84150186982309 2.02392154300100 C 0.92895869976281 -3.40410738314684 1.25052761664295 C 0.58827176727140 -4.58108689472895 0.33693904929632 C 1.77575429697649 -4.90562959043503 -0.57900831214909 C 3.11604233018085 -4.66691322329999 0.12913283680224 C 2.96734214761474 -4.89487172854605 1.62909498424843 C 2.02097694454100 -3.85220481506982 2.23853534223636 C -6.14526792052013 -2.73013398440032 5.17957684834554 C -6.54458791114652 -4.06145930941760 4.53765507102632 C -7.18474166032676 -4.92290074799006 5.64749480390844 C -7.62474740812931 -3.78127071026997 3.45970497118468 C -7.19157513847019 -2.74960577986506 2.42049324262472 C -8.06932595192526 -2.69704035913547 1.16012591745696 C -9.54911253540481 -2.49579104284878 1.48988639479700 C -10.32977446091222 -2.11865517045373 0.22430590321412 C -9.76212528500076 -2.82119288510465 -1.01702224078279 C -9.13637193819446 -4.15644191475896 -0.62911444177192 C -7.90659543111931 -3.93329938150698 0.26016456308037 C -3.26038876022349 -5.39113900369864 6.82467265759681 C -2.33236056777505 -6.14649987365714 5.86481791186374 C -2.75651601047935 -7.62866212926545 5.93854871881759 C -0.86479164888479 -6.02261702778573 6.35597464819924 C -0.28520720801708 -4.61622322143944 6.19662605559152 C 1.24269438125931 -4.54214922227528 6.29809205356588 C 1.76289835538699 -5.01427418812798 7.65673691413199 C 3.28461678930352 -4.90276187712041 7.72253120256960 C 3.73547398205193 -3.46734735004684 7.46982505043959 C 3.22193665941264 -2.98660574995941 6.11651823952727 C 1.70200117493856 -3.10053103238226 6.05489778928182 H -4.54263386161934 -0.94233334386563 1.31523936116487 H -3.56725288143186 -1.32799621837691 -0.10513581136228 H -3.14816047585990 0.04737620569911 0.88951415771384 H -2.01912824433125 -0.03114559840985 2.81967221489028 H -1.70876463077430 -1.46598949737239 3.77621676583080 H -3.36842587190293 -0.83702651426507 3.61774824223372 H -1.39422412944652 -2.57355125303151 0.20927208360949 H -0.83128658618728 -1.07556988385744 0.92370375905847 H -0.81581164733974 -3.66025794491460 2.52089734553152 H 0.12474318787533 -2.18697942583005 2.80213825305419 H 1.32457839959402 -2.59750059237196 0.62519112063915 H -0.28169572882140 -4.35976095317513 -0.28189330580363 H 0.35491055839057 -5.45097033314300 0.95435625416698 H 1.70673212197837 -5.94757477421867 -0.89820324160975 H 1.72987826805645 -4.28738378066928 -1.47762651841066 H 3.45589441881338 -3.64321193931522 -0.03984029260893 H 3.87758652085071 -5.33282392967004 -0.28086873018548 H 2.58237757050687 -5.90309492485738 1.79495458446521 H 3.94315758994751 -4.83670255687115 2.11486582173088 H 1.55276131744626 -4.27705763270214 3.12844550347614 H 2.59422560178697 -2.97877166276649 2.55436209156362 H -5.64040524817470 -2.90999638576467 6.12576953016953 H -5.50078166201167 -2.16078806334222 4.51003631743231 H -7.03786493556027 -2.14567965693316 5.38551513665404 H -7.88205065480849 -4.31581393404347 6.21800958467855 H -6.42392744791940 -5.29597435107384 6.32828041737521 H -7.73647386111774 -5.76940405972977 5.24959474504321 H -8.51994297614031 -3.42907924455357 3.97241989375255 H -7.88996290910367 -4.71171948343340 2.95924094449299 H -7.21008427132894 -1.75739204134685 2.87359775891118 H -6.15743058007862 -2.96171270134137 2.12882228407219 H -7.74562629875236 -1.81847939319403 0.59079849598597 H -9.66534561880693 -1.70812654915707 2.23619652914452 H -9.95500744968294 -3.41510795360659 1.91253011041889 H -10.29332983151320 -1.03767734819458 0.07369506569630 H -11.37886469294135 -2.39119763646201 0.35710419914210 H -10.55470134479697 -2.97445091864454 -1.75196126022708 H -8.99975472654371 -2.19693181410493 -1.48815171206654 H -9.88298225284343 -4.75309567277792 -0.10155900539209 H -8.84963124782536 -4.71138183484173 -1.52477714014618 H -7.02519950053272 -3.79879587288718 -0.37142681504260 H -7.75144603238551 -4.82679352548492 0.86590524918230 H -3.34901317467155 -5.94671508512109 7.75532604890035 H -2.87918781959581 -4.40404935203282 7.06308976320353 H -4.24920228535971 -5.29367768920704 6.37785631070661 H -2.15334443542672 -8.27630129073132 5.30947387856949 H -2.65276308462957 -7.98253444808091 6.96071402575064 H -3.80033217958957 -7.73015427644600 5.64965583609448 H -0.83885697549078 -6.31687631758293 7.40482557854714 H -0.23568685078696 -6.72361551820529 5.80475415556088 H -0.70656381817694 -3.95639266831778 6.95741904900123 H -0.57191410738470 -4.23533070374321 5.20766746343523 H 1.68145875874475 -5.18065374034187 5.52289672172741 H 1.32144097082416 -4.40280216907413 8.44722153309624 H 1.47328146045827 -6.05151554055335 7.83044206363352 H 3.63776088057901 -5.23631196335548 8.70088855801341 H 3.72904685199740 -5.55681232797890 6.96809757142310 H 4.82562281497064 -3.40775257141877 7.49917531864597 H 3.34554373666534 -2.81927948725524 8.25852374076335 H 3.52409126378408 -1.95007815751312 5.94973069681398 H 3.66488148356069 -3.59560971974334 5.32544605084892 H 1.35074891057584 -2.75845920774129 5.07890903963792 H 1.26459853062708 -2.45008743839131 6.81661937238788 N -3.08336239263190 -2.91721337169765 5.19059642740426 H -2.11885943068886 -2.67706257466181 5.43086688644697 H -3.65718812378534 -2.40807574277075 5.85559125587902 122 energy: -139.426904714316 gnorm: 0.003285986999 xtb: 6.5.1 (b24c23e) N -3.28417114819710 -3.13338455188384 2.11240839854688 C -3.68821826283509 -3.80678179204550 0.88384849690211 C -3.22105761321796 -5.25479782285888 0.91531647948504 N -3.66313153417477 -5.84652328017693 2.17344049620108 C -5.06732729619946 -6.25342743864099 2.11193293845223 C -5.64319174243177 -6.07113337245965 3.51033866339374 N -5.35737770750309 -4.71555397471229 3.96129797150788 Mo -3.49499301916003 -4.13522615935971 3.79239433645842 N -2.46810862172445 -5.62190904680205 4.50780697081729 C -1.74195571641842 -6.38287401463939 3.50868277455564 C -2.79120123003627 -6.96084776327925 2.55657585889061 H -1.13729785284942 -7.18575810906984 3.93193454556585 H -1.06038739592552 -5.72668103900716 2.95097243456675 H -3.37154730403265 -7.71381505804835 3.09334474240404 H -2.33375691096852 -7.43443868007705 1.68118311238024 H -6.71283560761030 -6.28205133302213 3.48212382091901 H -5.18216141931184 -6.79739949757328 4.19753823113689 H -5.60459678107511 -5.59269758051038 1.42705064881094 H -5.17557074670426 -7.28584162020625 1.75633001986252 H -3.26068460759417 -3.34179076399482 -0.00587201403755 H -4.78123631667460 -3.76500324935548 0.77006503552067 H -2.12849799732060 -5.26312163000864 0.88840226467363 H -3.59960340691444 -5.81409216100796 0.04886305344403 C -3.54634618681863 -0.98160584705142 0.90122137341964 C -2.64860469127204 -1.83732990701008 1.82513045001457 C -2.44692628405017 -0.99474256625407 3.08986062952914 C -1.26212752543437 -2.04342198402208 1.15369706368558 C -0.27804978475099 -2.83003044287986 2.02140609658433 C 0.92294792851374 -3.39307572809173 1.24705540293810 C 0.57836390489455 -4.56854538127552 0.33272668935107 C 1.76431095713959 -4.89940604423454 -0.58381636646421 C 3.10645142846526 -4.66377270184717 0.12201801218516 C 2.96036743063210 -4.88770425382583 1.62342260119250 C 2.01406703294209 -3.84472164253352 2.23396624811676 C -6.13688654760461 -2.72140026845154 5.17363928277301 C -6.53464375170191 -4.05451071640623 4.53388801206713 C -7.17721844915317 -4.91279756535376 5.64615222347470 C -7.61503212101504 -3.77659776604481 3.45515557512754 C -7.18314993574708 -2.74424452058314 2.41572937649937 C -8.06360096521144 -2.69056451766131 1.15730040032094 C -9.54274128249744 -2.49140954340485 1.49113803772478 C -10.32895988356784 -2.11788215388145 0.22729369330727 C -9.76652472901471 -2.82314096951739 -1.01516562945325 C -9.13253920753347 -4.15524588460356 -0.62772856103313 C -7.89996854994925 -3.92584890831216 0.25662256915009 C -3.26413555860411 -5.39607229070679 6.82380436408858 C -2.33307958141913 -6.15172256894411 5.86631046363781 C -2.75571909288419 -7.63564503712870 5.93990400962118 C -0.86682859795705 -6.03020035492513 6.36371832714875 C -0.28492930484220 -4.62515143073824 6.20263514539051 C 1.24299315621791 -4.55314604982185 6.30441492705760 C 1.76032896414882 -5.02225990381257 7.66499967858620 C 3.28235567975278 -4.90989902339880 7.73480350210159 C 3.73517031706926 -3.47544183134429 7.47757806984107 C 3.22194556092797 -2.99578479363655 6.12335146427270 C 1.70201830112192 -3.11204267652463 6.05964475675462 H -4.55938595826984 -0.96070113084805 1.29604785917297 H -3.57852120039985 -1.34732128225699 -0.12046662278598 H -3.17031635322625 0.03689560479701 0.86692115361643 H -2.05565897894154 -0.02084943916925 2.80556419510798 H -1.72978605961018 -1.44891203270509 3.76672462833853 H -3.39699488607932 -0.84241651652545 3.60162089474211 H -1.39301819967330 -2.56009186392506 0.20247241263022 H -0.84277663383465 -1.06201968801153 0.92706104861546 H -0.81988371804755 -3.64939659075972 2.51935162817224 H 0.11837153027549 -2.17433749150036 2.79906882051582 H 1.31930671599853 -2.58586102183270 0.62247101572943 H -0.29048705382295 -4.34377749502825 -0.28660955532882 H 0.34143037863171 -5.43747834466592 0.95053062365854 H 1.69083979625836 -5.94215417703273 -0.90017999106618 H 1.71947540977046 -4.28329606824801 -1.48412470232731 H 3.45000327870400 -3.64162721179083 -0.05032749661585 H 3.86477740703241 -5.33409827533396 -0.28715706115191 H 2.57698297422167 -5.89615931529273 1.79272815606668 H 3.93749696075048 -4.82682167958133 2.10616187909323 H 1.54417770029767 -4.27165096084956 3.12239073318598 H 2.58800662168866 -2.97281096248251 2.55313236202084 H -5.63318530526071 -2.89992965851881 6.12065110363005 H -5.49147172828724 -2.15311011305257 4.50379692331010 H -7.03059260348257 -2.13763918409428 5.37657088512908 H -7.86940865684759 -4.30128181892142 6.21781414437431 H -6.41627366826281 -5.28981580709503 6.32454255029566 H -7.73471025667222 -5.75620144135934 5.24986666987669 H -8.51046874954498 -3.42556276454939 3.96822169190238 H -7.87911910585935 -4.70769474880740 2.95526913677871 H -7.20026626221822 -1.75259079132011 2.86995310498111 H -6.15003160140952 -2.95734333771962 2.12194378588363 H -7.74249126676112 -1.81051477687060 0.58842820227805 H -9.65771279301936 -1.70193407961428 2.23605066183855 H -9.94601654405245 -3.41051228342879 1.91741662424577 H -10.29291434004284 -1.03710402500292 0.07432490671621 H -11.37751856291935 -2.39014620869302 0.36548111040318 H -10.56351538465692 -2.98276141270858 -1.74405255353701 H -9.00973281286856 -2.19745810406403 -1.49377252585927 H -9.87428903909279 -4.75528990510910 -0.09670176733241 H -8.84640191172539 -4.70922339748020 -1.52431010964830 H -7.02163809301847 -3.78842432089970 -0.37866384593926 H -7.73850988382361 -4.81845787721838 0.86241851023562 H -3.36413005463468 -5.95474240448133 7.75112662124521 H -2.87748322354257 -4.41233123856770 7.06712127224948 H -4.24793437144384 -5.29002847474290 6.36801180086855 H -2.15375778734948 -8.28165060517528 5.30715430011895 H -2.64487350439806 -7.98948849679240 6.96162614115067 H -3.80075276132681 -7.74014076303971 5.65648563470509 H -0.84727189392356 -6.32011986722746 7.41340794957363 H -0.23704319632711 -6.73455039433507 5.81843199504807 H -0.70429008247752 -3.96476142816233 6.96378185506594 H -0.57116279131058 -4.24343826319978 5.21415513040389 H 1.68224928595054 -5.19401154868277 5.53112565241359 H 1.31632031774339 -4.40895671195674 8.45301104111162 H 1.47089615204242 -6.05940590555817 7.84084015433884 H 3.63220543801400 -5.23916038539006 8.71594922257917 H 3.72891976196894 -5.56752740007581 6.98442452193555 H 4.82572683127233 -3.41854921445942 7.50535635171918 H 3.34777981643134 -2.82448042937844 8.26558345133299 H 3.52199069121927 -1.95847562951508 5.95721028084895 H 3.66695218983940 -3.60401588807035 5.33254527169079 H 1.35136340979273 -2.77103107365019 5.08301901341317 H 1.26283354996267 -2.46183761355926 6.82078298950727 N -3.07189155272811 -2.91826541893657 5.19174465944159 H -2.11294802978771 -2.67299975357047 5.43855764301300 H -3.64813674881580 -2.41797587894073 5.86254468580276 122 energy: -139.427014528346 gnorm: 0.004019035675 xtb: 6.5.1 (b24c23e) N -3.28330136840926 -3.13994107602574 2.10691716583853 C -3.68263446127722 -3.81821701467517 0.87907163157697 C -3.21544038222554 -5.26547294776813 0.91684124761953 N -3.65614082394920 -5.85269312293320 2.17736333631930 C -5.06120197816006 -6.25769355216487 2.11987085346767 C -5.63596650671471 -6.06884211849275 3.51785291626973 N -5.35127527218534 -4.71100333999773 3.96227409456415 Mo -3.48676451503736 -4.13620726529600 3.79215015674473 N -2.46145024818947 -5.62496074342555 4.51082191068635 C -1.73425281667359 -6.38503972573311 3.51185968193809 C -2.78320809994251 -6.96611360204559 2.56134358951020 H -1.12723794729095 -7.18585090401270 3.93588666893826 H -1.05465930483542 -5.72744738274592 2.95336819012986 H -3.36233489998388 -7.71909446137444 3.09898357182361 H -2.32515200700018 -7.43947043308714 1.68644574459208 H -6.70558239017911 -6.28050353998635 3.49134305404624 H -5.17369643974140 -6.79129090541709 4.20803461517218 H -5.59795361941225 -5.59858734539073 1.43291390418234 H -5.17172238159025 -7.29135793485441 1.76849091394828 H -3.24996268200236 -3.35704795343353 -0.01041853889797 H -4.77517431573522 -3.77547164250044 0.76031543036966 H -2.12295074190357 -5.27280851706445 0.88960564619966 H -3.59347761370018 -5.82874071259451 0.05263835867066 C -3.56203738670976 -0.99451898017949 0.88586486062729 C -2.66013175268075 -1.83897145570185 1.81682981497869 C -2.47204355787805 -0.99080208273096 3.08009557588189 C -1.26892464473735 -2.03269507808292 1.15077467238407 C -0.28261459064068 -2.81674397903612 2.01844093426592 C 0.91794110630886 -3.38078477713891 1.24358720573848 C 0.56917733863159 -4.55415043089151 0.32815939077147 C 1.75352566864075 -4.89270723412142 -0.58780702085015 C 3.09705955975004 -4.66027748044571 0.11590392544348 C 2.95312382024729 -4.88038188323378 1.61815860045776 C 2.00730924906969 -3.83730932456573 2.22994593903764 C -6.12945440717607 -2.71299788794743 5.16917894958931 C -6.52776338334671 -4.04673102716511 4.53096667326279 C -7.17351387102795 -4.90164314807609 5.64481789935660 C -7.60739079858343 -3.76944335984914 3.45084695192937 C -7.17667548443657 -2.73739701221974 2.41045016806241 C -8.05957441653348 -2.68334003413201 1.15365970011312 C -9.53823820701987 -2.48591227947973 1.49034250203712 C -10.32944191141783 -2.11729151717543 0.22814612671998 C -9.77142505420403 -2.82515828413460 -1.01475819397852 C -9.12952404836486 -4.15351494484914 -0.62732090096673 C -7.89500473277199 -3.91809315533722 0.25261650300152 C -3.26473465595537 -5.40311055700376 6.82424035656981 C -2.33119440182030 -6.15748071572601 5.86801016295129 C -2.75128729180090 -7.64274311533914 5.94056402462224 C -0.86607474027483 -6.03735330811815 6.37048611081938 C -0.28214966878076 -4.63342765897323 6.21021157864081 C 1.24563408641631 -4.56302765373566 6.31259488464180 C 1.76068422014710 -5.02907549323901 7.67493515684180 C 3.28252594329961 -4.91646581468577 7.74821782586179 C 3.73747383375841 -3.48347696751445 7.48626308974045 C 3.22475883394555 -3.00542623201292 6.13124805239922 C 1.70511058911665 -3.12267741943329 6.06603936006339 H -4.57495911603729 -0.97518016646053 1.28038940135222 H -3.59297134257515 -1.36880099104034 -0.13283117439945 H -3.19055329963919 0.02539852517613 0.84278419724991 H -2.09139389369438 -0.01316091181449 2.79424544964621 H -1.75197650980931 -1.43560393654377 3.76057302351726 H -3.42553977918533 -0.84805101460533 3.58837065371457 H -1.39288889244501 -2.54517726025565 0.19626446291897 H -0.85544095247623 -1.04729334553019 0.93030313243327 H -0.82270780121186 -3.63640810896772 2.51883550324497 H 0.11338694848285 -2.15935264568049 2.79525405051214 H 1.31681816893483 -2.57356490880583 0.62026827218691 H -0.29792051553900 -4.32471177658439 -0.29214742898108 H 0.32652727100678 -5.42189953279118 0.94589722550826 H 1.67508089689756 -5.93639731669255 -0.90038295150410 H 1.71084859229097 -4.27996645650516 -1.49064238388589 H 3.44454745421223 -3.63992335091007 -0.05983583639708 H 3.85231531193793 -5.33463283338007 -0.29264796498916 H 2.57113875876155 -5.88898673063808 1.79051447998258 H 3.93141200824977 -4.81780088940334 2.09839875883164 H 1.53545232608020 -4.26663042108083 3.11653842821803 H 2.58202053048703 -2.96732945976066 2.55358356015400 H -5.62439630681318 -2.89053601818844 6.11591706310790 H -5.48523378539266 -2.14427924186984 4.49816169241544 H -7.02326203746626 -2.12945476943774 5.37297242269056 H -7.86367504655155 -4.28720997550064 6.21566992337693 H -6.41363991225762 -5.28012896614350 6.32361105172774 H -7.73359589182160 -5.74379205137441 5.24942432896420 H -8.50315489301494 -3.41828279803876 3.96366998841739 H -7.87090583130712 -4.70161362024245 2.95196454752027 H -7.19238422610638 -1.74568694552715 2.86490524290630 H -6.14412858657143 -2.95086603991894 2.11476371724616 H -7.74054268942138 -1.80247156639246 0.58453009052253 H -9.65262193468558 -1.69418210701687 2.23319704267501 H -9.93906194035739 -3.40430522548729 1.92087614194699 H -10.29544158473689 -1.03686943118907 0.07173379911276 H -11.37720513842517 -2.39009507659768 0.37161436305816 H -10.57217283181419 -2.99105654928799 -1.73821860466543 H -9.02037115245151 -2.19790434598701 -1.50055116437533 H -9.86662522625638 -4.75696084772647 -0.09346621988183 H -8.84360453502765 -4.70687314393371 -1.52444203503621 H -7.01911837000219 -3.77778912126691 -0.38558512213400 H -7.72759473741050 -4.80992963428291 0.85832739208497 H -3.37148965205959 -5.96458758875811 7.74872136698012 H -2.87559713715844 -4.42129099581241 7.07246920901807 H -4.24542245896373 -5.29211127713268 6.36349925999977 H -2.15196584686982 -8.28565049731529 5.30206336907937 H -2.63106298892782 -7.99801446918241 6.96094739021554 H -3.79830816006859 -7.75052067597787 5.66524791878607 H -0.85065687683250 -6.32642577496295 7.42038113707751 H -0.23589719383920 -6.74356322581124 5.82803980225788 H -0.70105185985408 -3.97282007261838 6.97181888477302 H -0.56810892712093 -4.25025861816408 5.22197739547254 H 1.68497552052101 -5.20599070941910 5.54081823035572 H 1.31436658503574 -4.41431437071336 8.46079461176045 H 1.47114708595407 -6.06596660328804 7.85279411740153 H 3.62929661666667 -5.24136161606816 8.73199072300267 H 3.73122759967825 -5.57810546060646 7.00241825983929 H 4.82830129360672 -3.42904525678525 7.51281222544333 H 3.35279631965849 -2.82935759592300 8.27321781226495 H 3.52375404328465 -1.96774596029957 5.96512091083308 H 3.67144332617132 -3.61309470311941 5.34073245831981 H 1.35520987954979 -2.78277003918036 5.08863788669392 H 1.26462894402762 -2.47150239138093 6.82591396551477 N -3.06231291928124 -2.91990183807496 5.19240832358066 H -2.10444037917540 -2.66573098070122 5.43907852129020 H -3.64114574788728 -2.42146373773225 5.86008867432069 122 energy: -139.427135528586 gnorm: 0.003124399242 xtb: 6.5.1 (b24c23e) N -3.28261664209211 -3.14793074648311 2.10017986570430 C -3.67567207064294 -3.83188890664848 0.87289788944668 C -3.21029843466555 -5.27906295352767 0.91826683153906 N -3.65080831815023 -5.86102374056440 2.18161870213182 C -5.05702085973991 -6.26396737415318 2.12768965220598 C -5.63127372455705 -6.06716680731801 3.52462119446305 N -5.34568526160083 -4.70711200393629 3.96271097211811 Mo -3.47890054938272 -4.13872949883200 3.79076364584488 N -2.45268627047558 -5.62739875499507 4.51217250939970 C -1.72638290652422 -6.38836702353279 3.51289506154257 C -2.77775107427978 -6.97401521454677 2.56797080088753 H -1.11484618787363 -7.18595652791478 3.93731567117991 H -1.05062816578090 -5.72974475716393 2.95064472937535 H -3.35630260221541 -7.72370810757997 3.11099694050207 H -2.32277168768147 -7.45187476975288 1.69377962775843 H -6.70132700941889 -6.27806787389540 3.49886271106561 H -5.16998550571696 -6.78636939575125 4.21888368270291 H -5.59244658841773 -5.60717125205449 1.43741293504204 H -5.16956940941946 -7.29925764339766 1.78154640045860 H -3.23655605012328 -3.37464538478592 -0.01592836474720 H -4.76771807299175 -3.78757501563756 0.74753573910956 H -2.11790427250296 -5.28805340436090 0.89066362525678 H -3.58877772450458 -5.84616608071306 0.05658779433201 C -3.57896607126082 -1.00807096715830 0.87139560775658 C -2.67304249242845 -1.84091974350894 1.80851659965889 C -2.49856450328394 -0.98804844972753 3.07041667999794 C -1.27711091470102 -2.02063294331023 1.14753929984599 C -0.28801150579900 -2.80136299279404 2.01494645248216 C 0.91160593889375 -3.36735644853964 1.23988704210676 C 0.55878046420906 -4.53847959109982 0.32335186497112 C 1.74171805683425 -4.88455237979203 -0.59144960242461 C 3.08613554482383 -4.65465920359179 0.11062887751051 C 2.94370366815687 -4.87223933900642 1.61318753494456 C 1.99891744950346 -3.82889969784975 2.22615702686790 C -6.11978681316548 -2.70460506798626 5.16425009316168 C -6.52101235368660 -4.03812880077984 4.52770490337301 C -7.17141636523372 -4.88866608179966 5.64265745810363 C -7.59929881877227 -3.76060330900916 3.44582556523503 C -7.16990307789749 -2.72912495911940 2.40428121952636 C -8.05536041756122 -2.67587863009765 1.14904333172795 C -9.53366234140040 -2.48056423178185 1.48864042776400 C -10.33003862747560 -2.11703313795862 0.22851408556682 C -9.77608958614194 -2.82717343967562 -1.01471156575505 C -9.12706747793565 -4.15171250029963 -0.62701897391521 C -7.89010351659598 -3.91027568516894 0.24755179532196 C -3.26360760762010 -5.40873781405014 6.82267903569983 C -2.32718868489128 -6.16256802120636 5.86886723651809 C -2.74509527569307 -7.64853275178361 5.94031090879424 C -0.86328635913263 -6.04407536839113 6.37649713095128 C -0.27746565429803 -4.64110176195602 6.21918374871980 C 1.24993457018399 -4.57221140819747 6.32325825442630 C 1.76267121867185 -5.03542198630141 7.68735489810520 C 3.28412414188390 -4.92349401336163 7.76351889176753 C 3.74144735052722 -3.49220891271220 7.49714642189533 C 3.23024485159406 -3.01668933895188 6.14081456419321 C 1.71092529752231 -3.13299595071520 6.07431623865399 H -4.59172986315664 -0.98769439404054 1.26633843055606 H -3.60981756103078 -1.39192100482863 -0.14393068962674 H -3.21035722257819 0.01260020791798 0.81838918914032 H -2.12844746570595 -0.00622771761428 2.78400958066792 H -1.77501861133319 -1.42378649471838 3.75375201388881 H -3.45487104035351 -0.85514567840014 3.57653518847518 H -1.39414196378832 -2.52819309983921 0.18959399906755 H -0.87102627089179 -1.03070337687858 0.93376620114838 H -0.82632526077318 -3.62074307258617 2.51911370896395 H 0.10843983541123 -2.14156902785519 2.78989460899238 H 1.31374526629474 -2.56065972155725 0.61785939891408 H -0.30665116369640 -4.30436558580883 -0.29776285734382 H 0.31037117753531 -5.40497574957611 0.94102815245124 H 1.65906715267960 -5.92921611587237 -0.89994413334449 H 1.70132972149990 -4.27554794274282 -1.49703390515386 H 3.43657709837949 -3.63574895071565 -0.06753734927211 H 3.83911239907243 -5.33177972737188 -0.29766094786498 H 2.56217451770871 -5.88072897037051 1.78738100679601 H 3.92282582117077 -4.80940421694823 2.09175529622049 H 1.52483316845835 -4.26012481463184 3.11084725885959 H 2.57454979427815 -2.96091987331843 2.55408939225851 H -5.61250378615426 -2.88223905684218 6.11023732502181 H -5.47664827438646 -2.13606277362417 4.49142229020511 H -7.01239353622691 -2.11952198262703 5.37080841479273 H -7.86153342106121 -4.27141548849668 6.21073838780480 H -6.41391780228401 -5.26731539962263 6.32423484403842 H -7.73270872223286 -5.73061637061961 5.24795511808947 H -8.49526308335461 -3.40870755278751 3.95814914562831 H -7.86261470893946 -4.69383391259760 2.94807997868148 H -7.18529430952861 -1.73701831791616 2.85834098544578 H -6.13759621064596 -2.94197972999026 2.10686661766280 H -7.73870843861486 -1.79453783839470 0.57911062018136 H -9.64781368478980 -1.68713943089673 2.22987894824446 H -9.93139545179921 -3.39863467231404 1.92287396662927 H -10.29913365095447 -1.03697065740882 0.06861495894843 H -11.37677750036850 -2.39110894438066 0.37718003540359 H -10.58007349899503 -2.99864924673076 -1.73326885334485 H -9.03043436047140 -2.19857839440411 -1.50694558278686 H -9.85958369773060 -4.75745172737534 -0.08940637046854 H -8.84241150164589 -4.70551456988949 -1.52436270397285 H -7.01715861576789 -3.76672328455797 -0.39421771339298 H -7.71606030645692 -4.80124580947464 0.85290617783668 H -3.37552820554099 -5.97207054778900 7.74536228948930 H -2.87376808575880 -4.42797951783714 7.07494549117785 H -4.24237006200203 -5.29467084331239 6.35850433824845 H -2.14978703157271 -8.28838947505493 5.29519479498350 H -2.61490964833192 -8.00585874701051 6.95898365208699 H -3.79459757375221 -7.75871517345782 5.67461505855272 H -0.85116560553370 -6.33496883275068 7.42623156104483 H -0.23256342080841 -6.75103159548708 5.83492587540656 H -0.69702619393922 -3.98075896524952 6.98114385889327 H -0.56265412505337 -4.25605305510337 5.23101809139713 H 1.68939680038911 -5.21723907401321 5.55321861222510 H 1.31493707200500 -4.41849174989165 8.47078881757950 H 1.47196216650487 -6.07161758082331 7.86765751816521 H 3.62840190793641 -5.24481329265432 8.74933723049753 H 3.73420917946160 -5.58875102810282 7.02173977497251 H 4.83237445456456 -3.43952358972637 7.52406409507271 H 3.35790329675210 -2.83499496916083 8.28210893774535 H 3.52999285909831 -1.97945028683816 5.97299737970664 H 3.67762542813816 -3.62566666421900 5.35161261043107 H 1.36175073729165 -2.79414753185591 5.09617569666047 H 1.27009975437402 -2.48019656278990 6.83275969538894 N -3.05092529946717 -2.92332200105811 5.19219113204877 H -2.09399357468243 -2.66546912660099 5.43793006498752 H -3.63244949593463 -2.42776313528577 5.86194761792425 122 energy: -139.427271401762 gnorm: 0.002635289471 xtb: 6.5.1 (b24c23e) N -3.28246192642810 -3.15854350319662 2.09289695083579 C -3.66731801105106 -3.84862792347404 0.86597320516015 C -3.20543646301974 -5.29640804705931 0.92002622301685 N -3.64721011637417 -5.87183148115424 2.18656369369424 C -5.05469800685873 -6.27240999661298 2.13530728231742 C -5.62938137697982 -6.06623599388796 3.53047730433205 N -5.34012858309688 -4.70439361498023 3.96249891322072 Mo -3.47120453669437 -4.14338002751700 3.78889779687146 N -2.44102180566685 -5.62916330240274 4.51171897776652 C -1.71822648374765 -6.39292398840239 3.51157211399604 C -2.77532760010571 -6.98484745876365 2.57698793192860 H -1.10015712237373 -7.18607108399200 3.93591458392340 H -1.04845658452004 -5.73398558938216 2.94196288014949 H -3.35404060670431 -7.72735299589870 3.13049251732137 H -2.32757255608225 -7.47270301182177 1.70394996870007 H -6.70032573418900 -6.27408899740213 3.50426356307609 H -5.17180015407784 -6.78316839188956 4.22974063304721 H -5.58793923805551 -5.61879521845828 1.44027833504662 H -5.16904387986021 -7.30972899936473 1.79572842580641 H -3.22013836236592 -3.39585973089026 -0.02164543266306 H -4.75870455417412 -3.80239736905109 0.73194899970112 H -2.11310903210049 -5.30965638700148 0.89208672096088 H -3.58545138183341 -5.86699151904395 0.06114449776382 C -3.59889474027611 -1.02335424456791 0.85780254621951 C -2.68865414509311 -1.84404186215401 1.80011638499249 C -2.52814722714109 -0.98757764728155 3.06102356682793 C -1.28794369891408 -2.00730601813452 1.14403168835970 C -0.29554081395438 -2.78379071490253 2.01119890154446 C 0.90259519324051 -3.35237227184422 1.23595716589903 C 0.54607195672293 -4.52150102779835 0.31857603620478 C 1.72786376229236 -4.87369277909565 -0.59493246875644 C 3.07263605395922 -4.64517794095105 0.10618276439193 C 2.93076260678939 -4.86252825951628 1.60847737503400 C 1.98767252287698 -3.81861511558527 2.22263255422786 C -6.10681182867424 -2.69600854512057 5.15786397265760 C -6.51382524404551 -4.02860088612417 4.52368653882645 C -7.17028371791014 -4.87290634946658 5.63972216651040 C -7.59000391533322 -3.75009279906661 3.43967124105483 C -7.16162170598702 -2.71968969126250 2.39675687663348 C -8.05005016185334 -2.66813800631161 1.14318402668433 C -9.52805641599685 -2.47583698077278 1.48642836950104 C -10.33001224724565 -2.11713108715385 0.22893387791817 C -9.77985424115003 -2.82903563604005 -1.01475521263350 C -9.12477385618900 -4.14994192114326 -0.62639056798131 C -7.88432662133028 -3.90233239105299 0.24112333471262 C -3.26020610715658 -5.41366050752434 6.81974522892370 C -2.32073825976242 -6.16682901396888 5.86887465463330 C -2.73816141338228 -7.65246463293752 5.93864611100008 C -0.85829556430065 -6.05031438964026 6.38155299460842 C -0.27057459389038 -4.64795869439583 6.22972176621117 C 1.25631968628692 -4.58090394793579 6.33702660918522 C 1.76608552363338 -5.04126883240615 7.70330533804155 C 3.28721784393423 -4.93191513076967 7.78164019830951 C 3.74727939680749 -3.50239584396107 7.51172114027358 C 3.23955416199462 -3.03062111923067 6.15298760057126 C 1.72038383635694 -3.14318586288819 6.08537974683169 H -4.61118115123013 -0.99984605718513 1.25455952766041 H -3.63149049927004 -1.41756894163941 -0.15364454343765 H -3.23201098655168 -0.00234780224318 0.79365721472357 H -2.16986792835288 -0.00091117045977 2.77445512083991 H -1.79990528701402 -1.41337257542946 3.74639056488984 H -3.48664650880619 -0.86544099026625 3.56616356541985 H -1.39724380727637 -2.50943674211405 0.18250637169269 H -0.89081337224823 -1.01232097621741 0.93757738484848 H -0.83194346343832 -3.60227375517268 2.52036078144755 H 0.10226193632057 -2.12081384301428 2.78300318392425 H 1.30813297253279 -2.54657792698390 0.61504212577814 H -0.31800364599610 -4.28338542217729 -0.30297836445976 H 0.29291057170235 -5.38684280102430 0.93618307919947 H 1.64243199731492 -5.91924061409461 -0.89951882013140 H 1.68940363193652 -4.26828002769444 -1.50306353521111 H 3.42426838288288 -3.62693460018361 -0.07265765734917 H 3.82453535748075 -5.32314611369272 -0.30255482003939 H 2.54825974610648 -5.87057682750753 1.78269920673077 H 3.91025781649974 -4.80127012871322 2.08650828629540 H 1.51138763773875 -4.25086425250191 3.10566855119017 H 2.56448548622228 -2.95255061484055 2.55377171176015 H -5.59717382630436 -2.87467503788023 6.10297855695503 H -5.46372583935938 -2.12952076877308 4.48262148461958 H -6.99688650039558 -2.10709783362404 5.36766643829332 H -7.86197971410881 -4.25193839272671 6.20266016766895 H -6.41634986133939 -5.25016298692219 6.32648679489678 H -7.73183399645216 -5.71566772702835 5.24602452546368 H -8.48627936652436 -3.39707663986520 3.95086374899734 H -7.85305368444635 -4.68414883364857 2.94290582556439 H -7.17718746342203 -1.72697918202532 2.84983603151221 H -6.12956882189894 -2.93175354076406 2.09750398959192 H -7.73644424147821 -1.78644305605606 0.57210965021684 H -9.64217366208390 -1.68157883358488 2.22677620035605 H -9.92183585602864 -3.39420894766522 1.92343740450473 H -10.30299400664534 -1.03740939114400 0.06590194688734 H -11.37548556211362 -2.39325131364648 0.38278263765794 H -10.58667888938487 -3.00514353791068 -1.72889870343310 H -9.03897890489782 -2.19942757110230 -1.51249850077316 H -9.85260734768811 -4.75647138356019 -0.08342933679491 H -8.84292873699760 -4.70563700991148 -1.52351849436560 H -7.01547179380435 -3.75477439356861 -0.40550579996725 H -7.70233871262017 -4.79230071712657 0.84564627912468 H -3.37658332593238 -5.97887998599008 7.74151008585885 H -2.87031673990104 -4.43331324181728 7.07549609464920 H -4.23799017943677 -5.29754776529332 6.35188471830704 H -2.14839013537038 -8.28978426709966 5.28634806488940 H -2.59859059016417 -8.01297690227332 6.95510039751735 H -3.79033793327071 -7.76282452280428 5.68290808160238 H -0.84878424951725 -6.34563109636451 7.43061990564537 H -0.22681556698452 -6.75659209431931 5.83889847864701 H -0.69206197510225 -3.98836131587186 6.99166100381095 H -0.55343195635423 -4.26085390019189 5.24126937655113 H 1.69618503356864 -5.22821262024987 5.56923738768752 H 1.31811192282777 -4.42134290673246 8.48413664680411 H 1.47281450451743 -6.07625652066963 7.88617902980434 H 3.62953177311499 -5.25083490100068 8.76884702204562 H 3.73757835327266 -5.60020244882774 7.04289670280582 H 4.83811432832022 -3.45086059493877 7.54116410097638 H 3.36275292635240 -2.84214583832707 8.29350597874806 H 3.54264181306057 -1.99493826274847 5.98142254462335 H 3.68634866232011 -3.64367416578490 5.36663295916201 H 1.37248956557864 -2.80569503728722 5.10627195282132 H 1.28027841744891 -2.48764229269479 6.84187406197099 N -3.03647321782353 -2.92787033110136 5.18983678997161 H -2.07822915011174 -2.66879429243743 5.42973062737976 H -3.61687528794322 -2.43068263084267 5.85989559158159 122 energy: -139.427400113193 gnorm: 0.002958507189 xtb: 6.5.1 (b24c23e) N -3.28326813557503 -3.17014523918839 2.08592134170381 C -3.65896112875218 -3.86611283547783 0.85946349122107 C -3.20131543630480 -5.31499758194206 0.92236026261531 N -3.64535705509823 -5.88355934946002 2.19162149166487 C -5.05380866476015 -6.28156082697090 2.14170351282714 C -5.62964894437352 -6.06569801419708 3.53486482487941 N -5.33454953313114 -4.70292780727045 3.96146593508462 Mo -3.46425806823302 -4.14860790726594 3.78615373592100 N -2.42917920847068 -5.63024192706256 4.50976573756785 C -1.71122522197379 -6.39815873556464 3.50920074069633 C -2.77571282458226 -6.99671499950875 2.58699227975990 H -1.08648625295276 -7.18653275939725 3.93331855270810 H -1.04831434018906 -5.73979943844534 2.93043888967577 H -3.35482364543105 -7.73002495155640 3.15319682834956 H -2.33697531670658 -7.49714935617593 1.71569027706882 H -6.70166290848581 -6.26846769267666 3.50740688953451 H -5.17760770637752 -6.78174667821666 4.23879044484966 H -5.58454908780540 -5.63139674151891 1.44157487715155 H -5.16976323183672 -7.32090152624576 1.80901599616573 H -3.20318885048494 -3.41813231161366 -0.02653323339753 H -4.74940286140932 -3.81830498712376 0.71604877669283 H -2.10906473740759 -5.33332498934365 0.89441237366584 H -3.58310196719393 -5.88854876321523 0.06619785969599 C -3.62169991939462 -1.04007314132456 0.84549877809900 C -2.70587658266176 -1.84795645878240 1.79205305635318 C -2.55839026754867 -0.98720298135132 3.05133343812940 C -1.30109697638955 -1.99491680794465 1.14049846066100 C -0.30560498043361 -2.76673056586584 2.00809907318113 C 0.89099093878636 -3.33760595678220 1.23259700073690 C 0.53189733778020 -4.50537643939276 0.31465974941223 C 1.71289463289914 -4.86077197743469 -0.59822885932270 C 3.05763789574910 -4.63233548593433 0.10266002169481 C 2.91546959663345 -4.85195749754421 1.60438184509475 C 1.97446845234801 -3.80709877126938 2.21962637502899 C -6.09148870034940 -2.68733840152995 5.14954534642899 C -6.50609660580242 -4.01912767936701 4.51915026588091 C -7.16855533656545 -4.85574587898075 5.63689704039512 C -7.57972710995015 -3.73990151435286 3.43288830559715 C -7.15147463323812 -2.71104264090272 2.38852484290529 C -8.04336116858742 -2.66104869856607 1.13692749639141 C -9.52095426199844 -2.47217346634606 1.48458333234413 C -10.32848419373044 -2.11724323234866 0.22993249608072 C -9.78187880555644 -2.83056676107655 -1.01445231418377 C -9.12221751116276 -4.14864893549785 -0.62522095577897 C -7.87748956908208 -3.89494848083310 0.23405244417728 C -3.25496345866994 -5.41653005958969 6.81567961804488 C -2.31323464670027 -6.16977854506412 5.86767764884560 C -2.73200100754300 -7.65446580546079 5.93540280807547 C -0.85232435021525 -6.05545665258418 6.38461064985544 C -0.26246344642228 -4.65339511714216 6.23964399387633 C 1.26401026886998 -4.58865493066991 6.35222081584246 C 1.76964915554355 -5.04667779210373 7.72108119123427 C 3.29079540788633 -4.94147771797857 7.80153392584933 C 3.75435271204357 -3.51364651873219 7.52929472387326 C 3.25191617057001 -3.04603458390644 6.16729368180827 C 1.73257032111051 -3.15270757347606 6.09776745409147 H -4.63267802609011 -1.01283169845431 1.24568243996764 H -3.65783297871957 -1.44479790321588 -0.16149561177012 H -3.25648964003953 -0.01909988310208 0.76945286698600 H -2.21374140775672 0.00439187073469 2.76359401901896 H -1.82391180028420 -1.40132904803511 3.73759047360581 H -3.51833778260340 -0.87697182015983 3.55667214331879 H -1.40227071905259 -2.49229756821532 0.17584086711683 H -0.91296339953543 -0.99517611796173 0.94096802496928 H -0.84001645669670 -3.58412683503963 2.52211223341265 H 0.09355930118196 -2.10028719523165 2.77617852282510 H 1.29880243322108 -2.53262727354599 0.61236328505866 H -0.33151646897027 -4.26499170913570 -0.30673206709061 H 0.27650638897295 -5.36998506899576 0.93216703009696 H 1.62656521158607 -5.90687387670658 -0.90020473588524 H 1.67527628866793 -4.25764778682016 -1.50784669357244 H 3.40843524935230 -3.61372148513978 -0.07475922786551 H 3.80976626456585 -5.30915312541049 -0.30731821803812 H 2.53065965720962 -5.85934258738414 1.77676637752945 H 3.89488914847337 -4.79372466156105 2.08290200450223 H 1.49664086678843 -4.23929864593701 3.10171286451368 H 2.55267083176076 -2.94255089420877 2.55197373546394 H -5.57995207420951 -2.86674980220195 6.09363323540785 H -5.44758294151212 -2.12515456258613 4.47169687197048 H -6.97799038040190 -2.09343524922666 5.36147861245832 H -7.86254218070441 -4.23064407241222 6.19282456681156 H -6.41884429162996 -5.22986342052295 6.33007926560096 H -7.72952095239464 -5.70006430302116 5.24556827767445 H -8.47635722081923 -3.38560573017310 3.94240604169502 H -7.84242364251816 -4.67431497353033 2.93678590806684 H -7.16609211040875 -1.71772604439041 2.84027166165115 H -6.12029565158476 -2.92392587922505 2.08703586661389 H -7.73330055951386 -1.77886359844213 0.56489830750170 H -9.63476392179261 -1.67781850399916 2.22470493945686 H -9.91059102187285 -3.39126407821056 1.92332154431107 H -10.30487472827188 -1.03782877360184 0.06462469654179 H -11.37268328968879 -2.39549166676515 0.38855281680284 H -10.59120300662319 -3.01005376179784 -1.72483281835652 H -9.04459970077305 -2.20044473242699 -1.51652414292854 H -9.84559359533103 -4.75444435152171 -0.07570396810348 H -8.84441664871369 -4.70736028916855 -1.52172684053335 H -7.01380386397885 -3.74301910856546 -0.41843357407338 H -7.68687762048114 -4.78380344885101 0.83734410208503 H -3.37232180900804 -5.98180138278263 7.73706835760818 H -2.86720574963202 -4.43595951352186 7.07297374885742 H -4.23229725606093 -5.30170484065835 6.34708502877849 H -2.14811682023292 -8.29065795189968 5.27704408394081 H -2.58608280453702 -8.01866673663538 6.94961058626836 H -3.78625154638662 -7.76228612128507 5.68729160510685 H -0.84488787420036 -6.35584771942431 7.43262605480220 H -0.21996318967932 -6.76002926653965 5.84013606467681 H -0.68653680947413 -3.99495883491443 7.00113282936953 H -0.54099564119502 -4.26438108271235 5.25066691697033 H 1.70482316425354 -5.23844993946390 5.58728997398446 H 1.32237475357215 -4.42312798062253 8.49920888894301 H 1.47264042291604 -6.08011443582213 7.90626801160765 H 3.63123643954731 -5.25940681172333 8.78963760788142 H 3.74041770700045 -5.61206273413269 7.06465704156155 H 4.84499947186457 -3.46310239613293 7.56305322019558 H 3.36714100975174 -2.85060145362085 8.30714449380763 H 3.56034951313516 -2.01275559813647 5.99086879348641 H 3.69728853755863 -3.66523935942012 5.38507705658322 H 1.38717344330304 -2.81680637629024 5.11727812316351 H 1.29372979036235 -2.49369066487780 6.85179794784143 N -3.01971951575618 -2.93275709032580 5.18479110707982 H -2.05888812572058 -2.67613580184540 5.41587936959762 H -3.59592390089620 -2.43378575348433 5.85898774626591 122 energy: -139.427512030893 gnorm: 0.002882636937 xtb: 6.5.1 (b24c23e) N -3.28606421982674 -3.18088937711333 2.08015256720750 C -3.65289055488584 -3.88175850149728 0.85418064170471 C -3.19833030036268 -5.33154954641885 0.92473750021459 N -3.64458453220966 -5.89417146862710 2.19586113788705 C -5.05355130348372 -6.28997415377158 2.14655188464262 C -5.63040195239601 -6.06570809576708 3.53809727342979 N -5.32861753544323 -4.70282430320656 3.96003006675680 Mo -3.45789802457490 -4.15353637981051 3.78333491350649 N -2.41814880741492 -5.63075065509463 4.50718715725483 C -1.70575590481079 -6.40334255480213 3.50665688265376 C -2.77728214203533 -7.00721524408423 2.59569845164512 H -1.07624140598549 -7.18794243783725 3.93062005323505 H -1.04862217872697 -5.74662408696771 2.91938367669915 H -3.35656217239532 -7.73195701246394 3.17310445714740 H -2.34676408578989 -7.51890288506010 1.72634868048414 H -6.70346145721187 -6.26276749605647 3.50948293452510 H -5.18391871108119 -6.78189692404141 4.24553539223193 H -5.58234559007125 -5.64296718284562 1.44210264255764 H -5.17080651934979 -7.33097647012786 1.81985306474794 H -3.18962283936031 -3.43801919216522 -0.03009788305904 H -4.74224864100071 -3.83352165190252 0.70231945194823 H -2.10614904864872 -5.35367378256427 0.89723264955396 H -3.58127459390167 -5.90753475471183 0.07079697968724 C -3.64564034588960 -1.05643476015331 0.83492343201649 C -2.72348428641342 -1.85220672465767 1.78477091081384 C -2.58701193064495 -0.98646377525783 3.04187020383395 C -1.31566280995364 -1.98530646742022 1.13733955535510 C -0.31800571070972 -2.75313557523872 2.00606593335240 C 0.87755868650676 -3.32505533726444 1.23030419774094 C 0.51770993150398 -4.49253679675558 0.31230539266620 C 1.69835821304184 -4.84689310132506 -0.60126673768633 C 3.04281157123082 -4.61745593430893 0.09999354618563 C 2.89970609087327 -4.84136738366146 1.60100899084272 C 1.96077780762325 -3.79543779700100 2.21724592507663 C -6.07531189182339 -2.67927536618023 5.13968783707573 C -6.49767334289948 -4.01105593309877 4.51466568304641 C -7.16486075800533 -4.83919575033298 5.63522222961165 C -7.56909852823761 -3.73188161653085 3.42665765389709 C -7.13981187932711 -2.70521407946602 2.38066034554195 C -8.03532014783299 -2.65578038675713 1.13137935599309 C -9.51226822430946 -2.47006030208607 1.48395239857736 C -10.32483664341823 -2.11707071649348 0.23211489819974 C -9.78177966749911 -2.83154338726174 -1.01326883842594 C -9.11927458818889 -4.14797240122500 -0.62335368362158 C -7.86979755751983 -3.88908714610718 0.22727238522738 C -3.24916638281568 -5.41705712611681 6.81156321657326 C -2.30600231102188 -6.17111126979210 5.86594026332560 C -2.72868168712675 -7.65436632852779 5.93179897838276 C -0.84643715604466 -6.05959728916690 6.38611518699343 C -0.25436416444184 -4.65762117876387 6.24683641633040 C 1.27179781490218 -4.59541311894646 6.36618886710380 C 1.77192063680891 -5.05149130676150 7.73801096693650 C 3.29338146083800 -4.95152824258166 7.82123059703041 C 3.76101394832333 -3.52517792206071 7.54815193721722 C 3.26529985738926 -3.06125784277201 6.18244358983633 C 1.74553510903659 -3.16125479407003 6.10961456740631 H -4.65514544093186 -1.02759586990545 1.23917502366949 H -3.68504522538286 -1.47053410294128 -0.16798108205546 H -3.28322873055234 -0.03517663227293 0.74837610183862 H -2.25710364895993 0.00950192113177 2.75127741901164 H -1.84519007588164 -1.38758113042728 3.72794167781546 H -3.54744361384452 -0.88833254781849 3.54859147308495 H -1.40920121701148 -2.47916117143666 0.17026044702950 H -0.93483238380128 -0.98186517035603 0.94340908272242 H -0.85062731549913 -3.56981618874838 2.52350740236386 H 0.08202716956437 -2.08393020244087 2.77107869347194 H 1.28565576588719 -2.52039524046284 0.61006093877150 H -0.34630547478970 -4.25252874761100 -0.30809202999433 H 0.26367964408934 -5.35728540164826 0.92978829934096 H 1.61313406974281 -5.89301703849547 -0.90305516496676 H 1.66002698435828 -4.24372725697476 -1.51070370370803 H 3.39100380098958 -3.59747215894325 -0.07420880621074 H 3.79640003209531 -5.29135319437140 -0.31189992098739 H 2.51182512691878 -5.84806735349284 1.77017051516761 H 3.87868720250699 -4.78699010732150 2.08079166420240 H 1.48285637823261 -4.22660389718122 3.09966397350348 H 2.54039194314470 -2.93158056465228 2.54839821763979 H -5.56397859635759 -2.85836766995555 6.08390763347001 H -5.42832850446593 -2.12414368575474 4.45934895314645 H -6.95815011833516 -2.07930841656857 5.34997591502654 H -7.85981500232196 -4.20895194982339 6.18460127670570 H -6.41831948947818 -5.21001303408998 6.33367029863550 H -7.72626851135810 -5.68495735767575 5.24750533536001 H -8.46614338409225 -3.37623350190112 3.93423343837188 H -7.83148938637439 -4.66638219832761 2.93105360156182 H -7.15149244475075 -1.71132144148148 2.83094705862365 H -6.11020472224890 -2.92126219142871 2.07670172878706 H -7.72876700314087 -1.77282762574924 0.55890710726464 H -9.62525555630665 -1.67625732084783 2.22461369572783 H -9.89831735882035 -3.39012693940667 1.92338965160715 H -10.30311461945003 -1.03787398365144 0.06564750009892 H -11.36805346467385 -2.39663183260301 0.39482916713150 H -10.59325061509219 -3.01280407847670 -1.72070143536391 H -9.04659916901557 -2.20153225103786 -1.51844050393780 H -9.83881894969998 -4.75187972543105 -0.06691061142146 H -8.84635562609123 -4.71018683167847 -1.51912288071708 H -7.01183340434468 -3.73282916124503 -0.43154595076467 H -7.67062708015503 -4.77702974059661 0.82894574388778 H -3.36879272962314 -5.98283057055134 7.73314815965756 H -2.86130873964914 -4.43649297994958 7.06957336760702 H -4.22605336323971 -5.30189493175130 6.34032760538981 H -2.14887685665907 -8.29123205161107 5.27066183831251 H -2.58166707655138 -8.02151584932366 6.94462087253194 H -3.78381857278700 -7.75762752311793 5.68625876996937 H -0.84116488756675 -6.36355641059588 7.43327856874540 H -0.21332891506207 -6.76270771175695 5.84042299540749 H -0.68132710516675 -3.99983066557807 7.00700613639087 H -0.52703794971370 -4.26764464978116 5.25687798270192 H 1.71425512979871 -5.24776456060994 5.60451322072044 H 1.32554499872971 -4.42403964866511 8.51337419759436 H 1.47048013890095 -6.08324223360501 7.92511547576885 H 3.63153179524895 -5.26981217782909 8.80998017604615 H 3.74184459901822 -5.62374620153767 7.08528883701563 H 4.85146219344169 -3.47579049742529 7.58739111188986 H 3.37024403120732 -2.85974408615998 8.32201466997021 H 3.57987139981885 -2.03066807666117 6.00142815674348 H 3.70933969610917 -3.68713141524506 5.40489068711042 H 1.40374185878958 -2.82670417004372 5.12747691123823 H 1.30772557955922 -2.49871346517638 6.86096005764977 N -3.00252362696054 -2.93648418619509 5.17751637059000 H -2.03809900758908 -2.68324359620244 5.39734895105873 H -3.57053216737096 -2.43468003145925 5.85628715586206 122 energy: -139.427614085136 gnorm: 0.002355916258 xtb: 6.5.1 (b24c23e) N -3.29083886317959 -3.19032838781126 2.07529659728540 C -3.64973456018991 -3.89528978532266 0.84986520311098 C -3.19709297384521 -5.34557254020984 0.92700790165436 N -3.64543166209286 -5.90323356865115 2.19920213080679 C -5.05465367812603 -6.29687781827771 2.14983101503785 C -5.63254958689487 -6.06583467834969 3.54009765332360 N -5.32399965399396 -4.70357874958712 3.95845181192471 Mo -3.45348893898227 -4.15762240574919 3.78019812976141 N -2.41003713276190 -5.63152654148990 4.50424365061604 C -1.70286381404745 -6.40868016420986 3.50417064622917 C -2.78028750511337 -7.01615391591939 2.60232043526809 H -1.07068434201879 -7.19083696582117 3.92806690330445 H -1.04986849477320 -5.75423337968995 2.91008994283230 H -3.35935793709817 -7.73409745454015 3.18799099954094 H -2.35598326818374 -7.53600411413132 1.73484395016453 H -6.70656231568403 -6.25692765090374 3.51022185552922 H -5.19154600802305 -6.78312085264447 4.24982411195489 H -5.58176385682037 -5.65216899450381 1.44211017521554 H -5.17323339694615 -7.33901052884251 1.82760135264768 H -3.18007946578653 -3.45547615215355 -0.03283970266047 H -4.73792465176742 -3.84730109178566 0.69071993306022 H -2.10498635726488 -5.36974666019438 0.90054750147592 H -3.58009933140354 -5.92373090762378 0.07468471221882 C -3.66978565299747 -1.07217340500065 0.82557890252031 C -2.74087882169369 -1.85661066505553 1.77815437603531 C -2.61360213855657 -0.98463747248811 3.03218938105543 C -1.33088030708217 -1.97884880755502 1.13470188495209 C -0.33188344841089 -2.74344781079765 2.00514172751096 C 0.86366005887778 -3.31464963298864 1.22927367221735 C 0.50488742536741 -4.48247008160169 0.31116645078514 C 1.68561705257516 -4.83254337271803 -0.60402917912846 C 3.02954881894692 -4.60180802647844 0.09815987978502 C 2.88509770858695 -4.83089080310010 1.59844315610441 C 1.94783407134851 -3.78407793608709 2.21559190433633 C -6.06044233453586 -2.67188341314850 5.12945520887944 C -6.49012582429999 -4.00438569868548 4.51089367693613 C -7.16001102267440 -4.82408449443604 5.63535106301231 C -7.56002914025503 -3.72573554121386 3.42185463477440 C -7.12817642850898 -2.70247426996685 2.37357763148636 C -8.02699249950870 -2.65214095288675 1.12668839091884 C -9.50307487144078 -2.46834166731019 1.48367436252252 C -10.31963112414736 -2.11626047891006 0.23409444548904 C -9.77991179620187 -2.83201153457085 -1.01214101466407 C -9.11587628430150 -4.14768829487869 -0.62167997620609 C -7.86225346631947 -3.88469719878070 0.22122850724508 C -3.24180349065033 -5.41545277504893 6.80824768549815 C -2.29923646768445 -6.17138232835025 5.86355811445957 C -2.72631197503173 -7.65341785308333 5.92889904975645 C -0.84030295405464 -6.06269517268544 6.38484737628529 C -0.24554887054635 -4.66092469622342 6.25033425729826 C 1.28039297185607 -4.60148872936671 6.37800638764715 C 1.77335238848585 -5.05596587731153 7.75315662657032 C 3.29522239081385 -4.96171366807425 7.84093309678101 C 3.76791286263956 -3.53692251594923 7.56787910483721 C 3.27994992769060 -3.07549205083373 6.19850130324004 C 1.75975164272834 -3.16912760186264 6.12038012141648 H -4.67703716250263 -1.04291555876982 1.23510990644419 H -3.71341801024485 -1.49497938381673 -0.17325719912029 H -3.31083213418552 -0.05074245145014 0.72864386417263 H -2.29880437800158 0.01451443463143 2.73654279024630 H -1.86438654817401 -1.37152077269776 3.71789065811695 H -3.57364794159783 -0.89772525654489 3.54079939161305 H -1.41747656165342 -2.47047709639275 0.16592526498463 H -0.95536087865769 -0.97273473000607 0.94501450210386 H -0.86274764978432 -3.56029457147651 2.52411531420106 H 0.06774889266682 -2.07236383557661 2.76846046855374 H 1.27038364573408 -2.50955283487144 0.60881273484074 H -0.36059637678975 -4.24470415308167 -0.30776887604880 H 0.25464960118916 -5.34821532426588 0.92843955550004 H 1.60266479807129 -5.87819943452948 -0.90789593008460 H 1.64560393307990 -4.22726516122373 -1.51187954419393 H 3.37449836216487 -3.58000602192680 -0.07189539035645 H 3.78522112878638 -5.27199573638696 -0.31584411764317 H 2.49414654682920 -5.83703047649797 1.76376814551289 H 3.86341808020886 -4.78043055545583 2.07987506206690 H 1.47109545699130 -4.21383358943409 3.09929946442735 H 2.52866708798109 -2.92019244266499 2.54408921988423 H -5.54972802026526 -2.84916239280026 6.07399981639707 H -5.41031676741610 -2.12477181623042 4.44648682299179 H -6.93974404140552 -2.06626957491787 5.33621505877228 H -7.85549043660325 -4.18922143462124 6.17844815486217 H -6.41547524393257 -5.19038908611989 6.33810428654753 H -7.72127049212531 -5.67185003005162 5.25250788621195 H -8.45687876817736 -3.36758943611330 3.92769714906436 H -7.82346855975978 -4.66017480289545 2.92726925357902 H -7.13410157494385 -1.70785314769010 2.82205875604221 H -6.10086199465961 -2.92470996021994 2.06714317691404 H -7.72305518008397 -1.76834888986266 0.55435427206400 H -9.61470546377528 -1.67488383016717 2.22479301292916 H -9.88680582878903 -3.38895834266597 1.92368083687914 H -10.29837050029807 -1.03724262012164 0.06693604830700 H -11.36220204560304 -2.39615705665657 0.40013747703854 H -10.59316621643573 -3.01403782039941 -1.71731405841485 H -9.04573976529296 -2.20257738619858 -1.51960787796505 H -9.83234545746507 -4.74941488936572 -0.05915098321756 H -8.84748655294473 -4.71312831926211 -1.51667288792510 H -7.00964997518012 -3.72477079486805 -0.44321565437501 H -7.65569664154891 -4.77188883628783 0.82124411409556 H -3.35930813402041 -5.97904471932898 7.73071251396377 H -2.85532148161350 -4.43428395269850 7.06387909980593 H -4.21885353539090 -5.30293403212773 6.33854313656016 H -2.14805739844097 -8.29248257957936 5.26847294634362 H -2.58252740240313 -8.02166087441713 6.94165028344247 H -3.78127715635743 -7.75181088356349 5.68148806041990 H -0.83629776096334 -6.36900127787007 7.43110896450506 H -0.20717956600878 -6.76460575722947 5.83806887837753 H -0.67555530776102 -4.00340813807801 7.00863601969231 H -0.51135295942547 -4.27041225584068 5.25921540314231 H 1.72523077188660 -5.25641578232827 5.61995766857218 H 1.32724705093040 -4.42458799929534 8.52543635287252 H 1.46715139291443 -6.08600421222091 7.94176671513713 H 3.62974194548484 -5.28079284628011 8.83069906825602 H 3.74302519325831 -5.63562202378893 7.10616257960158 H 4.85821835698954 -3.48956805776330 7.61281109638859 H 3.37401313338606 -2.86918922464611 8.33810873187928 H 3.60039355843297 -2.04735640595374 6.01445944648170 H 3.72362939860111 -3.70702454481875 5.42545495842156 H 1.42290457069723 -2.83540666609224 5.13630959790030 H 1.32212699695331 -2.50336574174068 6.86882319725533 N -2.98679695157459 -2.93865480155605 5.16823611241423 H -2.01878481502011 -2.69065884467094 5.37759562703303 H -3.54526987200925 -2.43418682231237 5.85287047485706 122 energy: -139.427708594446 gnorm: 0.001848924099 xtb: 6.5.1 (b24c23e) N -3.29821335287178 -3.19792661379406 2.07060779933007 C -3.65038667627389 -3.90640109592174 0.84569941946839 C -3.19740574476041 -5.35632968040201 0.92836390517575 N -3.64659398811316 -5.91041557245719 2.20126606241896 C -5.05601134993707 -6.30227433982473 2.15261219772903 C -5.63384112467285 -6.06612470650328 3.54236913141297 N -5.31960462618124 -4.70457861412882 3.95743871758205 Mo -3.44947663911756 -4.16102175580705 3.77688246936589 N -2.40371425360600 -5.63275964138837 4.50157358462353 C -1.70136261715296 -6.41428616807340 3.50218727695032 C -2.78274457673689 -7.02318948424577 2.60592766309195 H -1.06923265937175 -7.19586549721702 3.92649224812124 H -1.04983119219544 -5.76280112742899 2.90381382308217 H -3.36116365151440 -7.73741686439050 3.19580616481887 H -2.36191172853108 -7.54677608859620 1.73955820547729 H -6.70862943356924 -6.25235097202984 3.51217214737251 H -5.19671046064381 -6.78440968265296 4.25342974299992 H -5.58232463036429 -5.65908138504718 1.44295555508197 H -5.17597434973421 -7.34512766577582 1.83342703726566 H -3.17631118117030 -3.46943743961488 -0.03579848678282 H -4.73756547380511 -3.85978639336920 0.68106715364107 H -2.10531838211473 -5.37998912693502 0.90317501383639 H -3.57928477248625 -5.93697974561068 0.07729564976678 C -3.69351201931045 -1.08658595439934 0.81599191766524 C -2.75843799168445 -1.86073194436001 1.77141860514419 C -2.63942002153704 -0.98172424335552 3.02188278182056 C -1.34654810831766 -1.97497545996304 1.13215189618860 C -0.34745086392754 -2.73776482242457 2.00465107396300 C 0.84932485061527 -3.30628494077464 1.22899727175176 C 0.49359085927929 -4.47507968297928 0.31077442085395 C 1.67476463472428 -4.81779009858955 -0.60681781481487 C 3.01798721250662 -4.58584434365227 0.09671965493175 C 2.87208318362878 -4.81999538504440 1.59631055960840 C 1.93567691837588 -3.77285793135079 2.21422214415970 C -6.04688840700976 -2.66489676236343 5.11934560060526 C -6.48259947665026 -3.99905408027777 4.50824883987223 C -7.15323493562216 -4.81073090902054 5.63764411909020 C -7.55214087839921 -3.72150900283562 3.41907942160294 C -7.11652904874299 -2.70297513745019 2.36767941401464 C -8.01814601235196 -2.65036625744894 1.12313415402292 C -9.49318907601871 -2.46687336298926 1.48389972684586 C -10.31269806069756 -2.11458765574562 0.23613727185703 C -9.77661291705745 -2.83201029465828 -1.01083097855629 C -9.11214346796633 -4.14766843064846 -0.62010132498406 C -7.85482424192269 -3.88203102609703 0.21613634845845 C -3.23402792419717 -5.41161476232683 6.80577309445946 C -2.29332289248696 -6.17068432300024 5.86138840780299 C -2.72558627051246 -7.65153341455152 5.92799134068014 C -0.83427201513052 -6.06540779163106 6.38241143750150 C -0.23637311318715 -4.66432696791396 6.24982951867817 C 1.28924968003116 -4.60796720905961 6.38693465547968 C 1.77313654753229 -5.06086510233021 7.76589978460316 C 3.29525042916951 -4.97227793840484 7.86066963064513 C 3.77395862940161 -3.54923996281000 7.58833922653462 C 3.29472006840659 -3.08891504885707 6.21542803863406 C 1.77429532825270 -3.17732960916333 6.12965079862658 H -4.69875103624366 -1.05857732428490 1.23015836728756 H -3.74015853973070 -1.51712213827815 -0.17931237972022 H -3.33890876604611 -0.06476096495173 0.71004742840505 H -2.34075228506719 0.02027029450599 2.71966277337302 H -1.88227174102364 -1.35334399460647 3.70678070893699 H -3.59872479388617 -0.90639293186122 3.53322373630329 H -1.42697179154467 -2.46501380197385 0.16198221179504 H -0.97413717259428 -0.96699960283259 0.94607852127584 H -0.87700685563899 -3.55585840807357 2.52295161756112 H 0.05024331432350 -2.06598037877543 2.76821370752836 H 1.25317904555074 -2.49998877896744 0.60816274439654 H -0.37425013847904 -4.24141320264726 -0.30628851349664 H 0.24933283605323 -5.34269228589830 0.92767579090569 H 1.59488945147230 -5.86239094637695 -0.91524474741941 H 1.63225823855688 -4.20829468188612 -1.51170430854781 H 3.35981497240354 -3.56222383171705 -0.06912419262452 H 3.77593163482222 -5.25226375983043 -0.31914344614570 H 2.47880593420676 -5.82584248951483 1.75796249503433 H 3.84965362762653 -4.77271118174447 2.07944848047346 H 1.46145436795690 -4.20113289577253 3.10008428577522 H 2.51716721218738 -2.90808369835218 2.53904121210508 H -5.53795432407104 -2.83884993475293 6.06517274142498 H -5.39278534033502 -2.12663405259217 4.43375468646506 H -6.92313932224679 -2.05362755761292 5.32015318347601 H -7.84766021227532 -4.17124239532958 6.17630877751626 H -6.40885698375580 -5.17296570732224 6.34256506653626 H -7.71530038111489 -5.66034479480145 5.26047150675242 H -8.44808665342589 -3.35956062760324 3.92365190063573 H -7.81813408929765 -4.65613633187152 2.92651158304138 H -7.11445803054944 -1.70742371820921 2.81399919694754 H -6.09192551326090 -2.93364881853199 2.05911083369961 H -7.71571109027306 -1.76580739471695 0.55128271094884 H -9.60284860258028 -1.67347321712475 2.22537788920781 H -9.87602372810035 -3.38750974229154 1.92457785291618 H -10.29025622780382 -1.03570410464248 0.06849151061706 H -11.35510480505673 -2.39333611634135 0.40500076682915 H -10.59160472599561 -3.01403635953908 -1.71403161596517 H -9.04272499593081 -2.20368362477523 -1.52037597997799 H -9.82630193343700 -4.74727094039900 -0.05251675435668 H -8.84796076960442 -4.71570774719734 -1.51461630012141 H -7.00689317225573 -3.71915071803089 -0.45321247378497 H -7.64218750750520 -4.76878298959776 0.81457360352854 H -3.35123316689175 -5.97316808914936 7.72995286949392 H -2.84572784341633 -4.43013869798563 7.05796749119916 H -4.21141506673518 -5.29917510759870 6.33582553895190 H -2.14547333636477 -8.29420100365218 5.27250170694322 H -2.58946190349754 -8.01815864109533 6.94235390654235 H -3.77923350126887 -7.74603696446388 5.67399872741079 H -0.83143136040962 -6.37201062279454 7.42829961175688 H -0.20204318822655 -6.76752216526922 5.83539172769473 H -0.66945688106966 -4.00560780133613 7.00507072444617 H -0.49485871051799 -4.27452136587706 5.25693759498913 H 1.73719217337234 -5.26553746469256 5.63289713066742 H 1.32600938638448 -4.42554325554212 8.53443135918701 H 1.46204840940345 -6.08921253030532 7.95573891679874 H 3.62430638393545 -5.29200872848412 8.85212697712738 H 3.74359255897259 -5.64823547840630 7.12802066820373 H 4.86418397340238 -3.50496352847521 7.63912158266271 H 3.37765201492029 -2.87920202188171 8.35538810141770 H 3.62006623266677 -2.06259391726104 6.03057059638930 H 3.73978953559077 -3.72426145135598 5.44639634026854 H 1.44377038435124 -2.84375928424051 5.14339901135887 H 1.33536313825854 -2.50902857716578 6.87502910792529 N -2.97222063966599 -2.93951553494680 5.15792056904971 H -2.00074328413522 -2.69540359684216 5.35670363979173 H -3.52029114939167 -2.43299275638105 5.84822140061131 122 energy: -139.427827837229 gnorm: 0.002770801068 xtb: 6.5.1 (b24c23e) N -3.31235492822343 -3.20720683232335 2.06273478176551 C -3.65598354106206 -3.92106990928518 0.83866215745983 C -3.20069121384391 -5.36956023744645 0.92906307676064 N -3.65002036303654 -5.91934703525684 2.20313908682492 C -5.06005608593260 -6.30842169356919 2.15663601955117 C -5.63670088718798 -6.06640225585626 3.54625678643112 N -5.31547267778572 -4.70580682012114 3.95705383545187 Mo -3.44551206299691 -4.16535093472620 3.77106326458155 N -2.39793777193524 -5.63609426595739 4.49750215245543 C -1.70167951881051 -6.42379277956604 3.49914912270660 C -2.78725133904280 -7.03259332984268 2.60782889876041 H -1.07215078772408 -7.20657435215549 3.92459583388985 H -1.04924388564180 -5.77715050444690 2.89702863878876 H -3.36455587858411 -7.74471289779339 3.20014615671349 H -2.36892791905001 -7.55729409503294 1.74168102577965 H -6.71251481104787 -6.24660909020627 3.51643709404450 H -5.20375994007690 -6.78593004691728 4.25853731625044 H -5.58568909727900 -5.66621436476632 1.44553771931279 H -5.18257161680857 -7.35187530583970 1.84030619962278 H -3.17690696454108 -3.48763088323887 -0.04171251610220 H -4.74194249613394 -3.87685155594614 0.66741648249318 H -2.10854224464505 -5.39020305531540 0.90595145027461 H -3.57960033758790 -5.95467604151666 0.07968481586449 C -3.72709803667505 -1.10599745089658 0.79963550119632 C -2.78520830011345 -1.86619695887606 1.76051289720680 C -2.67881101797029 -0.97642980523725 3.00548184796038 C -1.37020692355314 -1.97178581801393 1.12814289388493 C -0.37187433023048 -2.73315775878398 2.00371120144424 C 0.82877365054469 -3.29497440323773 1.22919308737655 C 0.47985832503113 -4.46516524624060 0.30989658681403 C 1.66232443272387 -4.79493067717671 -0.61093499390498 C 3.00416673837373 -4.56225578663973 0.09537300804365 C 2.85590542285838 -4.80224477669431 1.59405091960115 C 1.91898579336797 -3.75599235361531 2.21280414836624 C -6.02961191743013 -2.65548445298891 5.10662839659982 C -6.47340745284623 -3.99226975600226 4.50659806848416 C -7.14282583981538 -4.79331583978818 5.64407168008831 C -7.54416986564494 -3.71592980402677 3.41855147228818 C -7.10152049091795 -2.70681699580137 2.36075276345598 C -8.00584392151640 -2.64956354627493 1.11889314009896 C -9.47933953163977 -2.46322643420164 1.48305719320396 C -10.30116935772623 -2.11045711708739 0.23675713618274 C -9.77043967541504 -2.83149004947413 -1.01045093422371 C -9.10662384910137 -4.14766412607661 -0.61924635084601 C -7.84564650590250 -3.88041822667733 0.21021746592488 C -3.21965354512722 -5.40340090076396 6.80351676891908 C -2.28479232788523 -6.16909066005369 5.85802934681700 C -2.72308325970177 -7.64867185601608 5.93044947761531 C -0.82400696040858 -6.06878089772350 6.37544924076817 C -0.22022632780704 -4.66982117093426 6.24353086677548 C 1.30460390545669 -4.61871768245952 6.39664784750124 C 1.77207716349619 -5.06925858685235 7.78203745908749 C 3.29399149444551 -4.98867181877876 7.89177918386571 C 3.78338966847843 -3.56888969232151 7.62068422816902 C 3.31855589573193 -3.10805964768218 6.24281840393375 C 1.79836286349193 -3.19065960095412 6.14193668496883 H -4.72945205150849 -1.07870026673938 1.21991947216467 H -3.77815134241036 -1.54793139457167 -0.19052002020007 H -3.37775064849239 -0.08422138659157 0.68021162150746 H -2.40329782842224 0.02848338963954 2.69334178300930 H -1.91142455348693 -1.32526503102283 3.68983104678357 H -3.63663324042464 -0.91673145679339 3.52060142857490 H -1.44271189095222 -2.45983192717037 0.15623114015293 H -1.00039806690690 -0.96189868753532 0.94661795393271 H -0.89973658559105 -3.55491583374688 2.51826639488770 H 0.02044496901723 -2.06171539758901 2.77044052413936 H 1.22748334233257 -2.48583726897290 0.60849728666910 H -0.39157987764181 -4.23841718294694 -0.30469369469662 H 0.24502265530252 -5.33632722984165 0.92553967746347 H 1.58704926051734 -5.83728901882039 -0.92850957746948 H 1.61639846188486 -4.17745309653473 -1.51031330286293 H 3.34303004497198 -3.53674444894148 -0.06538754765829 H 3.76491301562131 -5.22446572477852 -0.32203649083946 H 2.46127073960480 -5.80825544009419 1.75139351057331 H 3.83233897244933 -4.75751694395051 2.07955674944585 H 1.44915772594154 -4.18309162151642 3.10178270332437 H 2.50013484299195 -2.88915097833358 2.53290427725524 H -5.52212774951876 -2.82337280434081 6.05401222070831 H -5.37089190191473 -2.12941608884476 4.41656799529218 H -6.90179147069686 -2.03686025664602 5.29937843128002 H -7.83592378784910 -4.14853746775689 6.17730056575920 H -6.39689956490366 -5.14846943865386 6.35098543820523 H -7.70478529011086 -5.64662752554136 5.27578934396546 H -8.43679108768721 -3.34504791799674 3.92257748537621 H -7.81774002280627 -4.65125528872822 2.93127401788078 H -7.08543717320449 -1.70941236076471 2.80286705900122 H -6.08115814565601 -2.95224153842111 2.05012986629551 H -7.70301500980672 -1.76457782840258 0.54787516294758 H -9.58536404910367 -1.66855325281762 2.22384390944350 H -9.86331659920910 -3.38244332690430 1.92588519031906 H -10.27544827963140 -1.03183485726329 0.06762808249955 H -11.34393466770181 -2.38570912313042 0.40894271664206 H -10.58780972830696 -3.01325578059456 -1.71098324410661 H -9.03650851331908 -2.20552881660316 -1.52322908303353 H -9.81882919505486 -4.74471965242510 -0.04679494641269 H -8.84702172513281 -4.71835271212478 -1.51332325208905 H -7.00244920904121 -3.71538579268668 -0.46403558227287 H -7.62754150783283 -4.76676405284503 0.80711679621779 H -3.33030368167555 -5.95757621778053 7.73191811578635 H -2.83032800682481 -4.42034115425376 7.04587020503066 H -4.19916109348415 -5.29499057234455 6.33948814328271 H -2.13633807626578 -8.29815813769217 5.28704657815473 H -2.60148968106306 -8.00835819797781 6.94934275259471 H -3.77368253058471 -7.74075439360735 5.66307892801106 H -0.82095408520053 -6.37501335154471 7.42097631182295 H -0.19505843120470 -6.77259559575264 5.82753547900352 H -0.65801644735637 -4.00754180286096 6.99284030921668 H -0.46734661019931 -4.28204466206696 5.24731330190124 H 1.75813386010475 -5.28010532279125 5.64909631953667 H 1.32086380974637 -4.42832440971607 8.54372295888708 H 1.45379252968939 -6.09518840144051 7.97311340411826 H 3.61141950759292 -5.30798748786936 8.88733711512371 H 3.74572826572020 -5.66899941084095 7.16501912888929 H 4.87357322243307 -3.53129661083125 7.68001969026822 H 3.38532404544064 -2.89492609110819 8.38355320789487 H 3.64928768923956 -2.08317535310885 6.06022506390579 H 3.76874945963090 -3.74575922156381 5.47873873931908 H 1.47950266966611 -2.85649605607481 5.15199126356203 H 1.35489037850466 -2.51954893328440 6.88223408465655 N -2.95302165098139 -2.93942358105038 5.14121108285452 H -1.97734503552469 -2.70115046349117 5.32691510173278 H -3.48718192134650 -2.42978555514567 5.83913956702519 122 energy: -139.427897474174 gnorm: 0.002517209181 xtb: 6.5.1 (b24c23e) N -3.32012871779954 -3.21073516898029 2.05778844818956 C -3.66056953997753 -3.92745232271692 0.83420951498647 C -3.20335199037085 -5.37484615722612 0.92821052821885 N -3.65163661159215 -5.92290898607541 2.20345880779075 C -5.06227893297533 -6.31073770577633 2.15953548520171 C -5.63690850905698 -6.06634296831817 3.54962369325320 N -5.31382071321222 -4.70554651287255 3.95809106290645 Mo -3.44332443248933 -4.16746640854170 3.76784831184729 N -2.39551943217449 -5.63819921900230 4.49580023632140 C -1.70195601951201 -6.42900652005320 3.49786612859483 C -2.78885084873445 -7.03670322944055 2.60735446923143 H -1.07469565263179 -7.21324380988847 3.92422609516070 H -1.04746843584628 -5.78498570525134 2.89496524518431 H -3.36579471361870 -7.74928809432704 3.19957461297599 H -2.37116117644182 -7.56072505703101 1.74042648857643 H -6.71306382923442 -6.24526900101551 3.52124724152531 H -5.20401508490536 -6.78537402508105 4.26247855149261 H -5.58818389622196 -5.66873719304273 1.44838012548981 H -5.18626052843990 -7.35445020406198 1.84438891860362 H -3.18019433925611 -3.49499353090105 -0.04606701377651 H -4.74624018796131 -3.88458740574439 0.66070672944533 H -2.11113021482967 -5.39357597043924 0.90559905021559 H -3.58088093458848 -5.96266554410317 0.07999681097214 C -3.74058422616398 -1.11367982230722 0.78905998591025 C -2.79803218688309 -1.86820199379812 1.75393319104223 C -2.69845199889425 -0.97394684697372 2.99647291978936 C -1.38083381144687 -1.97026993949045 1.12540361682383 C -0.38337648100431 -2.73158666076026 2.00216391924970 C 0.81989983498153 -3.28929526599522 1.22864383154736 C 0.47500034427485 -4.45984823517368 0.30831139705694 C 1.65838920486887 -4.78389650815713 -0.61304875510462 C 2.99943632037594 -4.55168559853568 0.09496794602446 C 2.85009574289412 -4.79243942334142 1.59338185444418 C 1.91136726753148 -3.74775631688901 2.21207361254205 C -6.02307501445465 -2.65169267614867 5.10355505033610 C -6.46964556333979 -3.98929205547299 4.50748274448154 C -7.13806174940850 -4.78667894722980 5.64821062042310 C -7.54182258895710 -3.71304603406354 3.42044098949166 C -7.09629347098284 -2.70896858097006 2.35900483641814 C -8.00082587446377 -2.64996840195708 1.11751348931622 C -9.47382362119052 -2.46046886611090 1.48178803694168 C -10.29563240823666 -2.10756716249967 0.23554250795219 C -9.76747369646684 -2.83106554229859 -1.01126880016793 C -9.10464887377741 -4.14754480798982 -0.61946222722083 C -7.84279775313420 -3.88114245708577 0.20883821429580 C -3.21230835300850 -5.39875431406049 6.80284772551409 C -2.28074563459584 -6.16822920167506 5.85706300294732 C -2.72118280678832 -7.64712554079852 5.93390407995859 C -0.81857811781875 -6.07038213188422 6.37194431011418 C -0.21152823079954 -4.67321024348242 6.23845857828122 C 1.31257535001200 -4.62503966970938 6.39963525667588 C 1.77111317139793 -5.07456656230316 7.78824137776968 C 3.29237572492207 -4.99692123190977 7.90732981916268 C 3.78728800818089 -3.57895091828438 7.63694017705201 C 3.32997655048286 -3.11718665332635 6.25684971170780 C 1.81035998092253 -3.19814830409271 6.14705431023004 H -4.74281193864299 -1.08499328390593 1.20942351658853 H -3.79176751962257 -1.56063787276478 -0.19890721191061 H -3.39215537946427 -0.09234555736650 0.66415787426976 H -2.43379329645086 0.03286783922952 2.68080708426609 H -1.92679656543781 -1.31273873205313 3.68097668197088 H -3.65623376706981 -0.92186639205719 3.51277950963860 H -1.45036065870265 -2.45694785614599 0.15253617699292 H -1.01193116277075 -0.95947772342650 0.94639964465187 H -0.91077572742099 -3.55586465121561 2.51378749455476 H 0.00548238998699 -2.06103977839570 2.77165061243208 H 1.21662800220066 -2.47859700980156 0.60866713266470 H -0.39750799941154 -4.23586790074218 -0.30578421072572 H 0.24353783440568 -5.33262171796781 0.92297925076057 H 1.58480074738587 -5.82494468393212 -0.93528513653913 H 1.61173132976705 -4.16263412249718 -1.50978337658874 H 3.33855864349908 -3.52615000679336 -0.06497930324346 H 3.76070011354701 -5.21361798936737 -0.32190278167127 H 2.45679944987986 -5.79905500360518 1.75010095337678 H 3.82610700503489 -4.74665945909520 2.07964716726736 H 1.44299809036610 -4.17541097573386 3.10159616676609 H 2.49107188828313 -2.87963881132328 2.53148484103440 H -5.51514457069797 -2.81723123897217 6.05111574000914 H -5.36362111432260 -2.12944368493145 4.41154934016175 H -6.89366574718220 -2.03046187125542 5.29455616077921 H -7.83070949562617 -4.14029888955094 6.18002797286381 H -6.39095877405922 -5.13906927566962 6.35541237549841 H -7.69988912645554 -5.64164033059553 5.28345743928719 H -8.43204851047049 -3.33689240681865 3.92495393780508 H -7.82022454145813 -4.64904948086156 2.93677804866402 H -7.07486017390291 -1.71062590119440 2.79872379208112 H -6.07746533514734 -2.96010680151660 2.04848075810782 H -7.69623200122240 -1.76556018566196 0.54639068553877 H -9.57798400589760 -1.66454302836748 2.22157663488877 H -9.85945949748210 -3.37831377012231 1.92620618228020 H -10.26773912514947 -1.02916578699803 0.06503749631815 H -11.33891199695661 -2.38018949122112 0.40887220925391 H -10.58603605918934 -3.01289286702363 -1.71040157115480 H -9.03358834746425 -2.20666798949011 -1.52604079651119 H -9.81698633739083 -4.74375542659592 -0.04625663678813 H -8.84624042551484 -4.71886748523734 -1.51354188782466 H -7.00011997462086 -3.71682522690048 -0.46632669000267 H -7.62468942907216 -4.76743808108063 0.80589909508125 H -3.32099003678786 -5.94947152885190 7.73419721034887 H -2.82070362555278 -4.41489434190521 7.03984365933429 H -4.19347504115931 -5.29081500556084 6.34050379072563 H -2.13050801974715 -8.29998380766072 5.29752894484438 H -2.60615834137315 -8.00170452466952 6.95529211789201 H -3.77006014274093 -7.74044541008935 5.66035188939506 H -0.81483549757449 -6.37606590950613 7.41769006747466 H -0.19205949996489 -6.77611478061000 5.82354428763321 H -0.65154785544712 -4.00773024142241 6.98377332309923 H -0.45328062534817 -4.28744310287871 5.24004079118189 H 1.76898736114173 -5.28809822452560 5.65531033831354 H 1.31649899516672 -4.43150312428257 8.54614004946818 H 1.44984899395618 -6.09956528626299 7.97921751209582 H 3.60256358385997 -5.31493151709010 8.90561075059160 H 3.74729551981761 -5.67995222788742 7.18503570905688 H 4.87740146572121 -3.54511972092812 7.70043281701397 H 3.38881243476180 -2.90295502070048 8.39788491959366 H 3.66228119015994 -2.09225868483579 6.07692425625025 H 3.78433559414411 -3.75440201862015 5.49469513250290 H 1.49797750836881 -2.86363838101685 5.15517727264285 H 1.36340276648054 -2.52610392980047 6.88452247035987 N -2.94460249152043 -2.93942459809675 5.13365269886457 H -1.96750721708566 -2.70141270224484 5.31365423956484 H -3.47437320655536 -2.42862934688183 5.83365250544773 122 energy: -139.427934354140 gnorm: 0.001190412774 xtb: 6.5.1 (b24c23e) N -3.32119639007776 -3.21044398378787 2.05653843381537 C -3.66201370456447 -3.92781072582103 0.83320414574024 C -3.20434232433620 -5.37498442961505 0.92738526183316 N -3.65175362418349 -5.92297516905302 2.20327480850460 C -5.06262726486402 -6.31085984695602 2.16069238645415 C -5.63604431473487 -6.06633457443639 3.55108371371636 N -5.31381395290964 -4.70499677679742 3.95907899659120 Mo -3.44308351764691 -4.16751719151520 3.76711989445518 N -2.39583606074415 -5.63855618103931 4.49537262983526 C -1.70198265901636 -6.42985992510049 3.49775100115371 C -2.78873675853073 -7.03706702196169 2.60674495670101 H -1.07522525220031 -7.21449536760105 3.92451512497203 H -1.04646543647824 -5.78618359799225 2.89522141298753 H -3.36592310928793 -7.75012486125986 3.19872601556958 H -2.37113484265704 -7.56101373626157 1.73935510476755 H -6.71207918901746 -6.24633629681810 3.52390960359012 H -5.20173683343332 -6.78441137808478 4.26397821115423 H -5.58900344319158 -5.66894633907905 1.44983310268818 H -5.18678521306256 -7.35464093762048 1.84582608993869 H -3.18235315393209 -3.49501116840634 -0.04750148022307 H -4.74791710461902 -3.88515274059751 0.66019057958933 H -2.11212445634330 -5.39380766956465 0.90410490801840 H -3.58220138800943 -5.96323531717907 0.07960655745000 C -3.73937287606273 -1.11322636046810 0.78578924436910 C -2.79899419473112 -1.86787375172129 1.75232545625844 C -2.70069911560877 -0.97411210719398 2.99491286898439 C -1.38131454814538 -1.96998774366791 1.12423874305669 C -0.38400391102809 -2.73138171896462 2.00071853432150 C 0.81993688931447 -3.28829369268650 1.22768044206646 C 0.47586982946387 -4.45874096675067 0.30704454452449 C 1.65972269953749 -4.78264225594452 -0.61345437105327 C 3.00049902564244 -4.55065309710181 0.09502525963149 C 2.85105125564631 -4.79008580210702 1.59350955835522 C 1.91089786659308 -3.74651337312501 2.21178910945947 C -6.02362205958613 -2.65217686922996 5.10626739492254 C -6.46979621014238 -3.98931241536887 4.50896608367452 C -7.13816966399153 -4.78781595765102 5.64912761764558 C -7.54244190894781 -3.71274285200691 3.42212022468792 C -7.09746372018053 -2.70887371812474 2.36035888276270 C -8.00113544005319 -2.65076662101283 1.11801522069879 C -9.47441123221357 -2.45962547816134 1.48096451199106 C -10.29507220766743 -2.10669413541403 0.23411204871439 C -9.76686357057207 -2.83092701113938 -1.01216469642495 C -9.10502843621339 -4.14758210543227 -0.61991481841082 C -7.84386599860543 -3.88280555914800 0.21034544134347 C -3.21148440618153 -5.39692050634148 6.80253730072390 C -2.28077326374890 -6.16767338695495 5.85724797900234 C -2.72088232239756 -7.64628237358016 5.93597258408778 C -0.81823261465216 -6.06993669179415 6.37160634171396 C -0.21013960818264 -4.67371279251712 6.23681039077189 C 1.31363915869620 -4.62645275947902 6.39892165890882 C 1.77076395845928 -5.07621957695001 7.78775562229899 C 3.29154216800025 -4.99863698102828 7.90893845875243 C 3.78710984963619 -3.58097762133190 7.63892146262044 C 3.33135576342504 -3.11885651448025 6.25860931845993 C 1.81213726123318 -3.19975983972781 6.14700399537117 H -4.74277445997154 -1.08311067182356 1.20361958324039 H -3.78858444377695 -1.56018111379855 -0.20210800639967 H -3.38965764834302 -0.09204940699026 0.66137091322763 H -2.43528900836922 0.03284021181686 2.68026435019270 H -1.92983985971304 -1.31377535876131 3.68014382874812 H -3.65884208493575 -0.92176793936153 3.51056214571385 H -1.45120116697054 -2.45613765630249 0.15119417935780 H -1.01270406169805 -0.95911099122304 0.94574011172659 H -0.91149750262953 -3.55620095897849 2.51173520664580 H 0.00423056114444 -2.06114987702655 2.77091502646830 H 1.21694380357919 -2.47746921474342 0.60813360179402 H -0.39625249441614 -4.23459736312336 -0.30757979401346 H 0.24382565468191 -5.33153530324323 0.92151928808351 H 1.58621262345343 -5.82351198641977 -0.93596889798760 H 1.61371000874631 -4.16131120024333 -1.51013410803271 H 3.34048665055178 -3.52560218285872 -0.06593669070275 H 3.76145861820462 -5.21350508781570 -0.32091396035336 H 2.45938938001654 -5.79718697951388 1.75111116252928 H 3.82704377603923 -4.74249781362859 2.07968857671618 H 1.44201476454670 -4.17514244638408 3.10053194100121 H 2.48944630816248 -2.87801473562248 2.53248254282485 H -5.51420090960879 -2.81879417339729 6.05319515713496 H -5.36560612008800 -2.12778744818861 4.41392215730914 H -6.89469217240053 -2.03166208497688 5.30005157814741 H -7.83125853479959 -4.14224994983074 6.18182746230522 H -6.39102353023467 -5.14080169258130 6.35604951809258 H -7.69986207824310 -5.64268015861494 5.28349791393680 H -8.43226390510059 -3.33611447660417 3.92701398158590 H -7.82125394451229 -4.64910828008386 2.93916983419891 H -7.07759035300883 -1.71037473666842 2.79964883354024 H -6.07802756877041 -2.95857545044539 2.05070086715482 H -7.69523491409522 -1.76721787479378 0.54610535514504 H -9.57851493460742 -1.66328560676199 2.22027762918784 H -9.86097545628148 -3.37695422466638 1.92566850507654 H -10.26657028554322 -1.02842413680909 0.06303434147890 H -11.33865564609465 -2.37842531548639 0.40699222865813 H -10.58535119221019 -3.01264416165705 -1.71134703219892 H -9.03281363393818 -2.20711273018212 -1.52713428181615 H -9.81859244703352 -4.74367906287520 -0.04788020672481 H -8.84589736695027 -4.71874643737446 -1.51397695413123 H -6.99927932822444 -3.72040908025660 -0.46351265733619 H -7.62839661959037 -4.76933055755378 0.80842003755390 H -3.31896867793497 -5.94639603090371 7.73492128451623 H -2.81981985022942 -4.41267341098020 7.03823599739281 H -4.19365882416513 -5.28983005609173 6.34161101722905 H -2.13014096378964 -8.29964189563800 5.30061154194286 H -2.60563663099147 -7.99928130590787 6.95770688792653 H -3.76979301972410 -7.74078441153581 5.66289916317208 H -0.81381877507613 -6.37544971962202 7.41766735263740 H -0.19252996734923 -6.77662015011744 5.82309642638581 H -0.65012659207710 -4.00685579223676 6.98095102794386 H -0.45156629200232 -4.28894810607771 5.23781290617756 H 1.77015607296377 -5.28959740344547 5.65490490604703 H 1.31514904379132 -4.43339130288247 8.54510825336351 H 1.44933956973636 -6.10124999322994 7.97810966849800 H 3.60009576863334 -5.31606666747693 8.90771385299075 H 3.74756358635523 -5.68208267918596 7.18791261261678 H 4.87707204025297 -3.54756809697812 7.70341051788536 H 3.38834653138057 -2.90482289080979 8.39946505558291 H 3.66367848420405 -2.09367596211884 6.07960649980293 H 3.78688414561529 -3.75544525184372 5.49659132632022 H 1.50096289171891 -2.86517906149062 5.15490482221352 H 1.36434301016066 -2.52766836327752 6.88387850107913 N -2.94411951587123 -2.94091279227317 5.13466834649680 H -1.96794619670995 -2.69755054966931 5.31134735067808 H -3.47617173879471 -2.42622651721948 5.83114153843099 122 energy: -139.428005329848 gnorm: 0.004838217335 xtb: 6.5.1 (b24c23e) N -3.32758732824698 -3.20919517781239 2.04913534370359 C -3.67076368790495 -3.92996356016105 0.82751616652043 C -3.21072134581042 -5.37591295997187 0.92270777058016 N -3.65321129325975 -5.92254073180527 2.20217420806564 C -5.06515357355095 -6.31056609806867 2.16694575421020 C -5.63154304951979 -6.06594571177576 3.55945349429639 N -5.31388632913895 -4.70179300664855 3.96459551931820 Mo -3.44207767716590 -4.16615510851222 3.76354190296355 N -2.39754265844093 -5.63902765700526 4.49367829196489 C -1.70331070334974 -6.43348937181738 3.49759670208655 C -2.78912897192009 -7.03774208584872 2.60383849217655 H -1.08029780420210 -7.22076180813190 3.92644406685282 H -1.04209892567769 -5.79248427523973 2.89693999547517 H -3.36713575527969 -7.75345820894949 3.19383567572300 H -2.37152785929854 -7.56056225697452 1.73451281375273 H -6.70687613209879 -6.25172624105807 3.53888649682848 H -5.18900392216373 -6.77915367822667 4.27205188458240 H -5.59444180591953 -5.66897317721229 1.45805193193133 H -5.19039685660701 -7.35465481071513 1.85350990096378 H -3.19464716411481 -3.49634309366934 -0.05543241188612 H -4.75771565743235 -3.88837079612544 0.65743448784807 H -2.11846200943718 -5.39469216066279 0.89587925638755 H -3.59078944971816 -5.96666816690297 0.07759124991451 C -3.73355940750372 -1.11139013783686 0.76708730602489 C -2.80445468392440 -1.86678459532772 1.74256840598633 C -2.71302010801691 -0.97496621368951 2.98539096622489 C -1.38397191024098 -1.96896263947846 1.11771095850342 C -0.38776128355029 -2.73064442208180 1.99330341953625 C 0.81982669025358 -3.28271540084340 1.22251315323418 C 0.48078524933018 -4.45263106093734 0.29982231374512 C 1.66745258356836 -4.77536968421188 -0.61626536242741 C 3.00674887767073 -4.54415430842510 0.09510095346358 C 2.85665901029370 -4.77677790134518 1.59415501323363 C 1.90810050024876 -3.73957997229677 2.21009535467736 C -6.02716911001692 -2.65561838323935 5.12149229971405 C -6.47107952677461 -3.98995971435139 4.51716027692178 C -7.13859699793118 -4.79464850648626 5.65427532988450 C -7.54615346792477 -3.71167811370473 3.43150712640636 C -7.10392776691304 -2.70854668672814 2.36818832226527 C -8.00296378315473 -2.65556018750888 1.12134116115251 C -9.47744383846512 -2.45484851241577 1.47691499842328 C -10.29103261496648 -2.10146024364258 0.22602438569886 C -9.76186632356138 -2.83012179952680 -1.01704937527844 C -9.10665764736102 -4.14848977939740 -0.62172174765183 C -7.85030019596463 -3.89305562572064 0.22036373275972 C -3.20630347073110 -5.38744259466751 6.80262061740707 C -2.28059724141079 -6.16375889113609 5.85840277336078 C -2.71946683887225 -7.64111675763627 5.94626387938914 C -0.81585556962543 -6.06744200827598 6.36847401159169 C -0.20259977608688 -4.67579199128093 6.22641081766249 C 1.31979609644490 -4.63411904779522 6.39456154430651 C 1.76807605223716 -5.08574048119496 7.78525066758393 C 3.28675639701687 -5.00863125662791 7.91907028292329 C 3.78637323735117 -3.59238348980526 7.65148887193176 C 3.34023504615807 -3.12834292811166 6.26921937804447 C 1.82280145670777 -3.20859921287007 6.14630285674769 H -4.74275684569872 -1.07432394323303 1.17175583666211 H -3.77245200788201 -1.55802595862662 -0.22092276692693 H -3.37730391555587 -0.09120940665558 0.64561005424449 H -2.44385697488449 0.03271668035135 2.67602714630236 H -1.94674759500152 -1.31847160263945 3.67492420470824 H -3.67392260380055 -0.92188124951879 3.49621251955037 H -1.45497859567281 -2.45300914351017 0.14388116279402 H -1.01653433057141 -0.95759141450899 0.94155152165675 H -0.91528331878061 -3.55886368290193 2.50037108777077 H -0.00341700085645 -2.06219175518862 2.76748581506970 H 1.21779369475505 -2.47067512428374 0.60545078008596 H -0.38931189438787 -4.22795039610561 -0.31772988020589 H 0.24599875043615 -5.32579898330007 0.91298123798544 H 1.59473230955841 -5.81542288382875 -0.94062876598417 H 1.62466659848243 -4.15320300113624 -1.51244454854310 H 3.35120957043953 -3.52149880240253 -0.07106651563403 H 3.76626987824506 -5.21192283632513 -0.31573029563636 H 2.47420600408114 -5.78671629230453 1.75649379757151 H 3.83251389899710 -4.71872780270319 2.07990080634858 H 1.43613717448289 -4.17397482881564 3.09431339010808 H 2.47995045649334 -2.86898486321266 2.53805042192766 H -5.50867606231356 -2.82799381373668 6.06373776392628 H -5.37842064692183 -2.11918658848033 4.42765608229546 H -6.90052640070308 -2.04030254176216 5.33066236947572 H -7.83317312700655 -4.15309436067954 6.19142127545616 H -6.39112406325680 -5.15080794314726 6.35943344074746 H -7.70007023863186 -5.64851326839962 5.28455660778296 H -8.43392626177575 -3.33311402948416 3.93870683503368 H -7.82703132388801 -4.64962020956050 2.95203932420560 H -7.09271919303892 -1.70906623871221 2.80541272893342 H -6.08120507288302 -2.95077248339125 2.06304040013960 H -7.68976275049767 -1.77710805827006 0.54487024772093 H -9.58086569746519 -1.65590397098253 2.21338782006659 H -9.86987185095804 -3.36909254253194 1.92310103191657 H -10.25811094335496 -1.02380080363010 0.05205310820877 H -11.33659516154328 -2.36789919485150 0.39559772374786 H -10.57961032444443 -3.01091672483645 -1.71725110336821 H -9.02581978475495 -2.20976535240979 -1.53249450460750 H -9.82745589253736 -4.74366942420464 -0.05688108063443 H -8.84276764614003 -4.71875199931744 -1.51531434981496 H -6.99541411059265 -3.74288449650439 -0.44567009977611 H -7.65075251325457 -4.78033958407624 0.82438314579696 H -3.30698700522268 -5.93013679012549 7.74047417113823 H -2.81460415521045 -4.40099179129559 7.02997473877642 H -4.19310340460783 -5.28487343687277 6.34891201581289 H -2.12843799264343 -8.29743923814519 5.31557210836528 H -2.60282357865015 -7.98615012250433 6.97011855613709 H -3.76866653274827 -7.74107507867210 5.67578335423298 H -0.80860937925292 -6.37102159146954 7.41599625209785 H -0.19465032002631 -6.77947044823072 5.82013122402816 H -0.64285970365428 -4.00138512542413 6.96383697009315 H -0.44102762830710 -4.29638070900789 5.22412784813218 H 1.77756203067945 -5.29790225172809 5.65239492092458 H 1.30628723510845 -4.44440259133509 8.53971288564089 H 1.44564337478160 -6.11112329878409 7.97166206993833 H 3.58572455950665 -5.32338535999792 8.92108070305640 H 3.74929581135976 -5.69418462137638 7.20469552761300 H 4.87571003480207 -3.56141456355429 7.72237033661748 H 3.38507847710514 -2.91539799415619 8.40965980917387 H 3.67326253242994 -2.10211404807630 6.09520669063850 H 3.80246757622891 -3.76204242545737 5.50862013513099 H 1.51895291174354 -2.87381448716070 5.15241026518003 H 1.36988966302607 -2.53624289241897 6.87973639392891 N -2.94243824918451 -2.93019649364882 5.12444507737090 H -1.96844651590471 -2.68628206316615 5.30680426611793 H -3.48301260234421 -2.41707096569975 5.81889021504222 122 energy: -139.428044031887 gnorm: 0.003277756748 xtb: 6.5.1 (b24c23e) N -3.32847772917554 -3.20849992793944 2.04774820586290 C -3.67235576192239 -3.92993735137373 0.82692765339288 C -3.21249875669416 -5.37598480589698 0.92247297749172 N -3.65446987887509 -5.92221805693347 2.20207666927294 C -5.06627618722209 -6.31015599516138 2.16727616389853 C -5.63168678227108 -6.06607115896234 3.56032158613110 N -5.31421643254090 -4.70197017109644 3.96527998776744 Mo -3.44274818998845 -4.16535015730103 3.76231581946212 N -2.39863952521968 -5.63826937674419 4.49342076325719 C -1.70466214678081 -6.43302667161428 3.49759933320784 C -2.79029059800031 -7.03710752391913 2.60375234837707 H -1.08253167099967 -7.22060120425975 3.92672114713237 H -1.04308846392899 -5.79261680985456 2.89707702570417 H -3.36785807530951 -7.75321065340163 3.19309659991823 H -2.37209081222365 -7.55909859321945 1.73468500124176 H -6.70688767273103 -6.25221707322271 3.54062609434409 H -5.18797845087164 -6.77924986565293 4.27226752915399 H -5.59609154577722 -5.66820742055539 1.45910767271414 H -5.19177329639947 -7.35413600652394 1.85362345968501 H -3.19647286189660 -3.49730471328750 -0.05638929465117 H -4.75924489068966 -3.88844669994929 0.65741019068604 H -2.12020787915012 -5.39448390834143 0.89525731653135 H -3.59305493690212 -5.96705975136162 0.07780365740609 C -3.73426318608140 -1.11237957575624 0.76310909975018 C -2.80525884016131 -1.86654059825228 1.73983014172250 C -2.71456191755237 -0.97226503484828 2.98108579120009 C -1.38457996525078 -1.96943480170633 1.11589495632964 C -0.38887059307006 -2.73071092237752 1.99242699702090 C 0.81948535623826 -3.28172941146201 1.22200034948135 C 0.48168471018229 -4.45173379745965 0.29881886099089 C 1.66912473136651 -4.77354040142370 -0.61689248353200 C 3.00811944251854 -4.54175315735490 0.09516130843665 C 2.85777401762152 -4.77405968698646 1.59438240720372 C 1.90750760828651 -3.73807479008862 2.20993794104322 C -6.02777112336424 -2.65684196700126 5.12367712110308 C -6.47144113010082 -3.99082414159551 4.51855746999118 C -7.13856726003327 -4.79614888839604 5.65534834692339 C -7.54669355468812 -3.71229646908238 3.43322815398388 C -7.10464762567830 -2.70898679811542 2.36983121821656 C -8.00320285739161 -2.65676746554131 1.12262497003653 C -9.47753468968234 -2.45415277438978 1.47704173964348 C -10.28942007397194 -2.10029804498142 0.22498811089332 C -9.75954465282836 -2.82998164100041 -1.01732440101205 C -9.10651637586971 -4.14929698383414 -0.62091602650140 C -7.85152617279136 -3.89550597307393 0.22346265824367 C -3.20498772159799 -5.38473651817538 6.80264779553140 C -2.28051821264434 -6.16237301836449 5.85817324969601 C -2.72030700068052 -7.63965295094102 5.94708926945219 C -0.81547721348467 -6.06673337724700 6.36694623154892 C -0.20126703454618 -4.67542633078691 6.22374080717649 C 1.32124765160523 -4.63512027644300 6.39374282517314 C 1.76708661816450 -5.08771119112532 7.78514547834263 C 3.28588118919877 -5.01114437495362 7.92176294852158 C 3.78665351849082 -3.59490212418726 7.65521114089637 C 3.34322134836720 -3.13054960894864 6.27196903737841 C 1.82571767450923 -3.20992254945271 6.14624605676195 H -4.74340098681510 -1.07576378164827 1.16719837409824 H -3.77228644031534 -1.55957652211172 -0.22489608220317 H -3.37838459696752 -0.09230822135490 0.64145972782218 H -2.44644344955922 0.03523617534834 2.67048583708590 H -1.94824347031205 -1.31388204573598 3.67103127973503 H -3.67592409909467 -0.92030533733677 3.49117592057366 H -1.45494051799310 -2.45443286477406 0.14239040513737 H -1.01679125773216 -0.95815951783838 0.93918243394285 H -0.91614677299959 -3.55945003672556 2.49863901711375 H -0.00563907154915 -2.06229802421788 2.76706682984094 H 1.21697291766728 -2.46910509413517 0.60528056205333 H -0.38822670080093 -4.22756474177850 -0.31920528317112 H 0.24719943460072 -5.32522514036242 0.91159636077539 H 1.59712291937480 -5.81361582799584 -0.94175435145305 H 1.62634969429805 -4.15092222156439 -1.51283119697042 H 3.35246587933676 -3.51904410570679 -0.07115397276711 H 3.76793575287800 -5.20961209738465 -0.31509221625329 H 2.47677615398093 -5.78450321722120 1.75703154852225 H 3.83346969394968 -4.71422962964604 2.08020703782204 H 1.43505506730916 -4.17357623554652 3.09339803633071 H 2.47809318181239 -2.86714663548953 2.53891090610416 H -5.50774842237996 -2.82963869362523 6.06455264179033 H -5.38081808324016 -2.11917598988977 4.43005114712542 H -6.90108994899977 -2.04305419669620 5.33442051070401 H -7.83234930676152 -4.15453918633527 6.19284517082067 H -6.39092182257202 -5.15285920350512 6.35994341671593 H -7.70060794852058 -5.64942110767979 5.28570399636406 H -8.43441290417314 -3.33400218653120 3.94074837910092 H -7.82767670456700 -4.65001964514234 2.95368566466394 H -7.09429811041269 -1.70933057695503 2.80696202816114 H -6.08165826614315 -2.95077933700529 2.06506774273823 H -7.68892707499237 -1.77937004637345 0.54531599008401 H -9.58054576226147 -1.65458283793643 2.21292822173552 H -9.87161368709149 -3.36766458230562 1.92330019758510 H -10.25478428856825 -1.02266403572208 0.05084131634129 H -11.33553196677602 -2.36551912450302 0.39326951545485 H -10.57672915161031 -3.01004850470980 -1.71853506868264 H -9.02196420130800 -2.21056905659770 -1.53205741176924 H -9.82894236322964 -4.74379675328082 -0.05770777630117 H -8.84152270199299 -4.71950671138863 -1.51411951378912 H -6.99548368200639 -3.74823642864060 -0.44093785268094 H -7.65531913930128 -4.78232925040055 0.82869591398823 H -3.30437548547942 -5.92575445142184 7.74143910854544 H -2.81327926655304 -4.39768833449884 7.02717923750314 H -4.19196385846389 -5.28329946474423 6.34977698993032 H -2.12963995503765 -8.29691165193073 5.31647507907508 H -2.60340102544757 -7.98413365301968 6.97135235364505 H -3.76959152338929 -7.73906723695712 5.67684313207009 H -0.80843027641830 -6.36888383483346 7.41456784201760 H -0.19487215574351 -6.77958078423493 5.81943466667824 H -0.64159960753117 -4.00003585601402 6.96023589742343 H -0.43790377161108 -4.29655881870518 5.22087194175967 H 1.77950919096185 -5.29926962349320 5.65199860364464 H 1.30406856245609 -4.44673827658000 8.53934947459110 H 1.44422883005161 -6.11323360081577 7.97038326308441 H 3.58279491699635 -5.32627894708683 8.92452763953161 H 3.74947761424924 -5.69682984989620 7.20798590589679 H 4.87601366055599 -3.56452423014250 7.72801226685436 H 3.38417376193533 -2.91781580577531 8.41282237555671 H 3.67716096962955 -2.10460515933456 6.09854839309761 H 3.80639711420345 -3.76461904748057 5.51229646872052 H 1.52382575995495 -2.87511735133555 5.15161366744824 H 1.37188048069911 -2.53728078459469 6.87891826862818 N -2.94170921416589 -2.93462008255438 5.12712360944790 H -1.96793449384174 -2.68681832109251 5.30692753049287 H -3.48211114172401 -2.41726471310206 5.81727940043452 122 energy: -139.428099155680 gnorm: 0.001297153373 xtb: 6.5.1 (b24c23e) N -3.33077207741294 -3.20757069932768 2.04455758617796 C -3.67560814856212 -3.92988702308289 0.82512395633926 C -3.21611677562617 -5.37620912800992 0.92186159370795 N -3.65745985085436 -5.92130176461722 2.20155266074860 C -5.06884864772039 -6.30905105299903 2.16725108052870 C -5.63258502703882 -6.06639401065563 3.56145433208615 N -5.31487447290657 -4.70286856383542 3.96664620495822 Mo -3.44471096297741 -4.16295637135494 3.75969141484449 N -2.40094884576539 -5.63567189459837 4.49266415917242 C -1.70785426092411 -6.43107553393736 3.49726349793286 C -2.79332384284288 -7.03545255068148 2.60359372986782 H -1.08711738401274 -7.21893669233700 3.92689696880376 H -1.04614315742964 -5.79182839950295 2.89651701330054 H -3.37004366309154 -7.75188110532897 3.19209598173763 H -2.37387087454274 -7.55606896549686 1.73521898676872 H -6.70758294691922 -6.25272030919693 3.54318116185633 H -5.18730824719593 -6.78032826797800 4.27169373738725 H -5.59970715751623 -5.66609436852393 1.46079352625772 H -5.19491353689419 -7.35262896172849 1.85250975214246 H -3.19962547808568 -3.49944632453765 -0.05871603382344 H -4.76227388486846 -3.88845600633129 0.65638736806296 H -2.12376105290790 -5.39405101904003 0.89414799964591 H -3.59739187277791 -5.96779807098312 0.07792460499345 C -3.73721478521596 -1.11530718548749 0.75528490220916 C -2.80725614802109 -1.86671476685894 1.73401732156171 C -2.71838293299247 -0.96836212527750 2.97327809111535 C -1.38649950591818 -1.97119981823284 1.11176524602128 C -0.39156311363840 -2.73124913861612 1.99059580122076 C 0.81861503997329 -3.28009322859679 1.22125111526766 C 0.48347720989702 -4.45049327894558 0.29731386311159 C 1.67254414219919 -4.76936737943936 -0.61797051877023 C 3.01077229803087 -4.53573694819766 0.09538423811355 C 2.85980924130101 -4.76855219437495 1.59476790147810 C 1.90630947290465 -3.73502867644701 2.20986498919487 C -6.02860045008862 -2.65917568791857 5.12739810940097 C -6.47199064847277 -3.99284133970291 4.52140102198724 C -7.13826373243430 -4.79897852000886 5.65788814146702 C -7.54762327312261 -3.71408552271469 3.43692991310660 C -7.10558845181212 -2.71052200026884 2.37345797805427 C -8.00327492565945 -2.65961699690249 1.12578443787747 C -9.47718315127300 -2.45306163081443 1.47797701566034 C -10.28530388419300 -2.09790638120089 0.22341409387329 C -9.75368403427938 -2.82966667886269 -1.01716597230702 C -9.10592203187110 -4.15125775355773 -0.61827798791091 C -7.85345680143006 -3.90096221403632 0.23044808362180 C -3.20237607870262 -5.37962928752858 6.80324234954271 C -2.28036502288197 -6.15878178388907 5.85714297357205 C -2.72300340827619 -7.63579832216381 5.94744704941585 C -0.81487866128696 -6.06494138917578 6.36351126950490 C -0.19820647334010 -4.67436222062821 6.21809397271541 C 1.32458439170244 -4.63684478124516 6.39240869889020 C 1.76501226954016 -5.09149076701761 7.78528119064709 C 3.28400690734244 -5.01649765017720 7.92781616234893 C 3.78728187886588 -3.60030187534215 7.66396956129693 C 3.35026540365462 -3.13561607863910 6.27841243040155 C 1.83258244096686 -3.21248625189425 6.14667683486341 H -4.74580719963781 -1.08128410459148 1.15941652173303 H -3.77414809030309 -1.56382035378736 -0.23257410555804 H -3.38358637132013 -0.09508461666288 0.63266014816857 H -2.45259198255777 0.03858843067385 2.65928833649080 H -1.95204125640058 -1.30577911434058 3.66459570005089 H -3.68075742689406 -0.91793181919313 3.48162100504752 H -1.45516316782964 -2.45863403447850 0.13914883025780 H -1.01759822857149 -0.96038128612234 0.93327916470765 H -0.91825126633639 -3.56077150211468 2.49533199247968 H -0.01067589828591 -2.06258223118721 2.76587571458267 H 1.21480453988601 -2.46628229384446 0.60502191394637 H -0.38627773429803 -4.22799374005019 -0.32152680301287 H 0.25045450050121 -5.32480305583079 0.90936330880094 H 1.60260946984219 -5.80946031449302 -0.94391843313254 H 1.62917811278174 -4.14574336482267 -1.51328375247902 H 3.35371549836189 -3.51242593595445 -0.07034344131739 H 3.77183457092074 -5.20259494249509 -0.31428988987855 H 2.48139265030205 -5.77995372588441 1.75718522490691 H 3.83504294225143 -4.70576470786003 2.08095350653694 H 1.43327557608636 -4.17268734323454 3.09203507702162 H 2.47453554973794 -2.86344826305597 2.54047894332453 H -5.50575224560680 -2.83282833515735 6.06568419119150 H -5.38469537071953 -2.12001508997571 4.43376969912357 H -6.90194367035071 -2.04833016829016 5.34048359047244 H -7.82996273614392 -4.15687845235703 6.19636440832305 H -6.38996076640354 -5.15704143872812 6.36092382426871 H -7.70176221773019 -5.65097309145169 5.28857880860833 H -8.43552348661959 -3.33641596403356 3.94464533349935 H -7.82856816567555 -4.65122065908652 2.95681323249018 H -7.09597502033823 -1.71057725241905 2.81034811505961 H -6.08236561100317 -2.95235798106946 2.06930934649557 H -7.68691045054517 -1.78440246145520 0.54670731669613 H -9.57941102468694 -1.65229531560339 2.21273355663272 H -9.87495051865179 -3.36497201396994 1.92423019132167 H -10.24681769876766 -1.02036182982868 0.04905461733562 H -11.33256099149044 -2.36045445542554 0.38869157937802 H -10.56921466887244 -3.00742877489131 -1.72112934801718 H -9.01208565410326 -2.21266367472321 -1.52965273103844 H -9.83216342008222 -4.74363510594486 -0.05832548503774 H -8.83910545566528 -4.72168723209533 -1.51058548229907 H -6.99508009561077 -3.75951494348161 -0.43054359462994 H -7.66430718929558 -4.78658248889573 0.83855942571115 H -3.29873058824949 -5.91811391671513 7.74333036710721 H -2.81038292591164 -4.39182765237105 7.02294972230589 H -4.18964228824016 -5.27984919254956 6.35207686243442 H -2.13367457722506 -8.29499140749492 5.31657755022711 H -2.60580619786273 -7.98018710643304 6.97210673251412 H -3.77246288148193 -7.73290164108613 5.67756695539751 H -0.80822201208187 -6.36383154851046 7.41142990990131 H -0.19544995355114 -6.77923989489097 5.81763284377065 H -0.63875866335652 -3.99725058472706 6.95275201876850 H -0.43085357105793 -4.29659708878467 5.21411183210871 H 1.78380304022055 -5.30193251865615 5.65171621712989 H 1.29965801069488 -4.45119912433914 8.53892613375561 H 1.44102791226270 -6.11718645894578 7.96789762632776 H 3.57657928815450 -5.33299792716439 8.93187357208958 H 3.74946350270151 -5.70223228880358 7.21496935942403 H 4.87658236729773 -3.57102804956403 7.74143575320368 H 3.38186134205969 -2.92301506025805 8.42008422014415 H 3.68668507923855 -2.11057814027584 6.10581808980279 H 3.81509545493264 -3.77129584723113 5.52123356324786 H 1.53535584751183 -2.87756548528308 5.15041751812297 H 1.37708702345545 -2.53880009909129 6.87743301757654 N -2.94048283100007 -2.93416472730679 5.12413041832752 H -1.96560700457276 -2.68918137852386 5.30512597235393 H -3.47800371645083 -2.41529285455120 5.81278862364728 122 energy: -139.428159000313 gnorm: 0.003458575326 xtb: 6.5.1 (b24c23e) N -3.33657636525007 -3.20704530719045 2.03774719507881 C -3.68237131202855 -3.93115055370395 0.82022773703297 C -3.22277613775698 -5.37753933655163 0.91924008301679 N -3.66289524275225 -5.91995004285167 2.19978402914140 C -5.07391459351218 -6.30729874429902 2.16734281644953 C -5.63413946000652 -6.06722588230928 3.56369020100717 N -5.31610261128001 -4.70449930395348 3.96956846630860 Mo -3.44828531063743 -4.15920478814207 3.75481561405558 N -2.40431882013532 -5.63086866831467 4.49037869756243 C -1.71290509651425 -6.42815273653762 3.49577231864922 C -2.79868756532764 -7.03313924690310 2.60265305807823 H -1.09390888322111 -7.21635680413218 3.92648539837159 H -1.05080973948952 -5.79099759459118 2.89394035828346 H -3.37455162790757 -7.74973146613750 3.19076526027276 H -2.37800102820103 -7.55278824556283 1.73497813023474 H -6.70889686302027 -6.25425596694524 3.54834630830950 H -5.18610112029807 -6.78223455201833 4.27113467441989 H -5.60664528510062 -5.66252009360320 1.46393976729499 H -5.20108805004180 -7.35012496206429 1.85048179958009 H -3.20622113487585 -3.50371836017965 -0.06457851699136 H -4.76884442404308 -3.88988422236470 0.65214790496416 H -2.13032683543727 -5.39430420084688 0.89057874197401 H -3.60491387134489 -5.97040298943914 0.07663194625834 C -3.74298251737227 -1.12031544801349 0.74049202155496 C -2.81261101086573 -1.86767143315821 1.72306698441362 C -2.72742320824001 -0.96306316646810 2.95903400669512 C -1.39143846554514 -1.97433418398661 1.10378060154385 C -0.39743113349506 -2.73205951565788 1.98618866738445 C 0.81642038475691 -3.27693781894600 1.21939030379066 C 0.48724701080609 -4.44827122004672 0.29424459958815 C 1.67930462542582 -4.76092842928283 -0.61990233488621 C 3.01563003822205 -4.52309296473240 0.09595499249523 C 2.86344753804320 -4.75726005359375 1.59527991767922 C 1.90352419705995 -3.72887991209351 2.20963575410622 C -6.02932298567819 -2.66332131675344 5.13530529839245 C -6.47277843017469 -3.99634278717747 4.52757413063627 C -7.13703823629170 -4.80445568116958 5.66377112976136 C -7.54964545880424 -3.71694063936214 3.44503046922504 C -7.10721667930708 -2.71384207902888 2.38106453354303 C -8.00268523699702 -2.66550402638165 1.13201576384470 C -9.47621779744124 -2.45073381136752 1.47936268142487 C -10.27680667703638 -2.09317326062708 0.22013318947276 C -9.74199208935178 -2.82878618768947 -1.01697027529776 C -9.10507661985724 -4.15474403367168 -0.61358436768956 C -7.85703150752968 -3.91221278151914 0.24388591717968 C -3.19733062514705 -5.36872645335299 6.80358238725274 C -2.28016758240512 -6.15131107709893 5.85495044233249 C -2.72777032312818 -7.62738676723009 5.94829825200042 C -0.81357285194720 -6.06104860788026 6.35721907655619 C -0.19144393290151 -4.67260692071276 6.20743392744434 C 1.33133201630069 -4.64096880337131 6.39030202816719 C 1.76119891884680 -5.09897401276878 7.78575291957008 C 3.27979000558529 -5.02727327473271 7.94019432991957 C 3.78804080728547 -3.61171169940078 7.68178443795354 C 3.36392689751690 -3.14660766665840 6.29202075056433 C 1.84649558896942 -3.21850602112108 6.14809848715874 H -4.75195320279416 -1.09041662315838 1.14309580238669 H -3.77650839529997 -1.57067949767591 -0.24698876238702 H -3.39293268502926 -0.09944076664821 0.61655630078139 H -2.46480234230580 0.04313867641657 2.64012868194053 H -1.96136177066392 -1.29438978039426 3.65313705042661 H -3.69132469563428 -0.91421390238434 3.46464407854839 H -1.45809249326944 -2.46566248041885 0.13279285732677 H -1.02105054293514 -0.96441045939444 0.92198150730150 H -0.92318824289541 -3.56316739732590 2.48842193987183 H -0.02093727553272 -2.06273013517479 2.76283248656428 H 1.21080084407016 -2.46135682899201 0.60415840830800 H -0.38240506638975 -4.22935202061961 -0.32598393836219 H 0.25725429830059 -5.32410429374350 0.90512937923504 H 1.61391594015425 -5.80079352533814 -0.94799330882341 H 1.63468800507883 -4.13553453083894 -1.51396926045417 H 3.35537140537894 -3.49850073620972 -0.06855784270042 H 3.77955279819014 -5.18732614522823 -0.31270946095880 H 2.49024076422720 -5.77069167416994 1.75680598986500 H 3.83774540035584 -4.68908514034084 2.08247947759292 H 1.42979683244903 -4.17068788796032 3.08946278901223 H 2.46705456423696 -2.85567063116247 2.54349620815831 H -5.50042676185294 -2.83918717433100 6.06925544891621 H -5.39109167387123 -2.12060576760515 4.44024008811446 H -6.90317718200334 -2.05683692413615 5.35458512428713 H -7.82540838423771 -4.16219085281289 6.20554614892011 H -6.38731796066092 -5.16585935900217 6.36348398886369 H -7.70333431186299 -5.65414108584481 5.29412442275108 H -8.43739319804400 -3.33933932799856 3.95311265024934 H -7.83116460738401 -4.65359680032441 2.96478459059430 H -7.09893639368398 -1.71329679808539 2.81688270058081 H -6.08332133572109 -2.95573552136730 2.07872459395025 H -7.68147543257638 -1.79471367163145 0.54915477483409 H -9.57714076059728 -1.64787884145804 2.21206558349389 H -9.88099058991589 -3.35954517427281 1.92573621001346 H -10.23152405991478 -1.01596019908264 0.04500737998498 H -11.32617870816468 -2.35045512029439 0.37992933733641 H -10.55416926233326 -3.00160632900585 -1.72616769150702 H -8.99286280890609 -2.21675532543205 -1.52498995456004 H -9.83904832164751 -4.74254417731081 -0.05925453712058 H -8.83549553919045 -4.72627525082417 -1.50419812722495 H -6.99256172103532 -3.78224404865355 -0.41043784081012 H -7.68219310045034 -4.79628173875553 0.85794694794349 H -3.28735579800388 -5.90292878401230 7.74633640930337 H -2.80457712525453 -4.37967122357754 7.01551584926581 H -4.18645885491903 -5.27188613022120 6.35700589423775 H -2.14144242790907 -8.28997498574294 5.31739639220511 H -2.61031366145701 -7.97102733708243 6.97342532595374 H -3.77770764988846 -7.72050510754117 5.67954312412800 H -0.80695340375303 -6.35488249476854 7.40606248449800 H -0.19704465695136 -6.77889395738739 5.81358817032752 H -0.63265255003847 -3.99114093723126 6.93755992098556 H -0.41701641620979 -4.29782592462002 5.20101225360309 H 1.79222328744640 -5.30769805971430 5.65185498129626 H 1.29135853679371 -4.45961077238882 8.53758202861599 H 1.43467733884988 -6.12469856401813 7.96362376186381 H 3.56363451586531 -5.34596101124673 8.94641695381130 H 3.74919724288631 -5.71312292485274 7.22984059216361 H 4.87686880906989 -3.58432331749490 7.76897425394108 H 3.37677746264265 -2.93397122535985 8.43449368225331 H 3.70519136828996 -2.12309752390588 6.12113852904202 H 3.83257631924671 -3.78510554492551 5.53968847264022 H 1.55871889587381 -2.88304989391980 5.14903105930314 H 1.38775759719984 -2.54268030139808 6.87485049860138 N -2.93857707230681 -2.92761859213569 5.11351966128066 H -1.96135835929084 -2.69084042320160 5.29640172311061 H -3.47153770498488 -2.40431557058278 5.80070874119678 122 energy: -139.428208122255 gnorm: 0.003043255735 xtb: 6.5.1 (b24c23e) N -3.34123102024304 -3.20727226164057 2.03262946768916 C -3.68700225159336 -3.93282148405978 0.81595451030219 C -3.22704954766762 -5.37899889727190 0.91674331151313 N -3.66634886528861 -5.91956450517169 2.19824905743999 C -5.07741003319118 -6.30669003766362 2.16741207390922 C -5.63533720729575 -6.06806634413930 3.56493460061562 N -5.31700844042563 -4.70568622684761 3.97153482944199 Mo -3.45072228031565 -4.15741414083874 3.75127382080336 N -2.40567269362496 -5.62755233576609 4.48786310659248 C -1.71548141662699 -6.42669003287920 3.49384019697762 C -2.80203462391158 -7.03242340739131 2.60184981280394 H -1.09679925793162 -7.21480893562092 3.92523365459209 H -1.05326061158037 -5.79086790901067 2.89064129185155 H -3.37771727330580 -7.74858795874998 3.19081471250745 H -2.38161929678086 -7.55285995884864 1.73436979070240 H -6.71005232421057 -6.25560170083873 3.55141680734230 H -5.18589353410822 -6.78359949509257 4.27092696197764 H -5.61111708225006 -5.66081410955497 1.46574660030142 H -5.20527855022934 -7.34906801526433 1.84924745083641 H -3.21085799070791 -3.50653088307235 -0.06946152835358 H -4.77347772178723 -3.89176718190129 0.64771317017227 H -2.13457571963079 -5.39541917458107 0.88746142919330 H -3.60942226920275 -5.97305822676089 0.07507778785190 C -3.74724787860768 -1.12351862448315 0.73072352414772 C -2.81727706425403 -1.86835943264119 1.71590047907014 C -2.73438108928471 -0.96090045729043 2.95007392345318 C -1.39569713766728 -1.97626843737300 1.09813239278897 C -0.40202137581626 -2.73237319369136 1.98249209309745 C 0.81433712419418 -3.27479091806032 1.21777157052077 C 0.48959493614838 -4.44694886400218 0.29211398085431 C 1.68366680300425 -4.75487152343746 -0.62100453660534 C 3.01844923428738 -4.51348834713808 0.09649155024710 C 2.86536435027889 -4.74902509826199 1.59549677287602 C 1.90108157580903 -3.72438618831355 2.20945997056610 C -6.02886088479366 -2.66600572346187 5.14093679783117 C -6.47301080682376 -3.99849971854886 4.53230077145573 C -7.13559521361839 -4.80816909553505 5.66847102526607 C -7.55108026286212 -3.71829177998387 3.45132950268107 C -7.10787366663195 -2.71661878415311 2.38643230409319 C -8.00150031098565 -2.66988173320671 1.13617717483136 C -9.47496602140263 -2.44898740925109 1.48000474877261 C -10.27053629929729 -2.08998324362881 0.21794652690516 C -9.73384943584731 -2.82805342276045 -1.01681943179027 C -9.10474032743962 -4.15688241859144 -0.61064738586518 C -7.85937238964652 -3.92018986439152 0.25258926248145 C -3.19383183614711 -5.36028464916265 6.80257688334259 C -2.28005791606844 -6.14578331577143 5.85298141339074 C -2.73076121351065 -7.62082503643874 5.94899377401747 C -0.81264274888101 -6.05804748212914 6.35319696428812 C -0.18629150788102 -4.67167246872986 6.20075126870011 C 1.33602545491721 -4.64426672399917 6.38950519600330 C 1.75865078261831 -5.10413869276123 7.78655376310043 C 3.27644761235277 -5.03500870601140 7.94909881041557 C 3.78813158992969 -3.62016626724745 7.69446018357819 C 3.37307208814000 -3.15482703228701 6.30211219126994 C 1.85625891033790 -3.22322982251685 6.14983154030140 H -4.75716352966039 -1.09569327255310 1.13147469679996 H -3.77790074556745 -1.57457437344702 -0.25649393846844 H -3.39929174244330 -0.10193475656167 0.60656120854488 H -2.47310506910493 0.04492802623943 2.62886161056752 H -1.96841109895296 -1.28922742255325 3.64577972949512 H -3.69881247903729 -0.91228100236520 3.45469602973914 H -1.46174984519677 -2.46972137859435 0.12816994799753 H -1.02493656880040 -0.96686306483855 0.91436838375465 H -0.92725729001848 -3.56447922412680 2.48353197696781 H -0.02823284678295 -2.06241006198545 2.75994696436574 H 1.20791756810685 -2.45839970442306 0.60315119194519 H -0.38026299809365 -4.23088109634512 -0.32882206695091 H 0.26203291967342 -5.32379132856371 0.90246334194944 H 1.62196089135675 -5.79450725370390 -0.95037617053582 H 1.63800558752013 -4.12856776199698 -1.51435184723687 H 3.35534558570514 -3.48780039605344 -0.06700082296954 H 3.78486821441684 -5.17513135138443 -0.31169336156401 H 2.49561961535136 -5.76387818380971 1.75598097093129 H 3.83889218859931 -4.67769767323445 2.08379073736832 H 1.42728212136664 -4.16881202312673 3.08793279827201 H 2.46139652293544 -2.84981844421914 2.54531313469355 H -5.49562862816988 -2.84325402930080 6.07233385796865 H -5.39433112898486 -2.12074000516308 4.44411848682873 H -6.90290228646148 -2.06123229166433 5.36520644132044 H -7.82197152000519 -4.16625739153457 6.21340031019664 H -6.38478293604950 -5.17222678866568 6.36565164692436 H -7.70391441057834 -5.65633357631219 5.29818402416483 H -8.43808244578012 -3.33952337056335 3.95983995633628 H -7.83397696797736 -4.65501640589689 2.97195737002147 H -7.10007607860625 -1.71552247221349 2.82090289259124 H -6.08349811143078 -2.95896444465122 2.08569120257093 H -7.67641898089678 -1.80230167630636 0.55057310090962 H -9.57488339693625 -1.64488321344918 2.21145541053173 H -9.88426202108318 -3.35571190552550 1.92655530028025 H -10.22128701960068 -1.01307711910012 0.04213757943454 H -11.32119611469981 -2.34385326536237 0.37439513401273 H -10.54369052702659 -2.99717623267483 -1.72948578421858 H -8.97980161926829 -2.21954106802969 -1.52166826940264 H -9.84391991808966 -4.74115868210517 -0.05942018411261 H -8.83401130031671 -4.72980935223660 -1.50002472881921 H -6.99022906663534 -3.79812847776101 -0.39737012193703 H -7.69414160982791 -4.80361870421236 0.87042343266960 H -3.27982428657887 -5.89176632771118 7.74729281605736 H -2.80046963288614 -4.37051867027603 7.01015083836237 H -4.18484627029995 -5.26506742501888 6.35975348109176 H -2.14670913303638 -8.28538481163436 5.31823030163737 H -2.61315894358484 -7.96353377465564 6.97431318903387 H -3.78117598111704 -7.71166046598950 5.68137490879583 H -0.80573812094678 -6.34972018966424 7.40271144709059 H -0.19840542844331 -6.77860737110690 5.81046895680497 H -0.62811376933412 -3.98672691022429 6.92724405387652 H -0.40741364624970 -4.29922072946991 5.19255723885112 H 1.79786855933310 -5.31204355531089 5.65268210410280 H 1.28595815331101 -4.46493595079130 8.53663308274106 H 1.43003164523189 -6.12961843815131 7.96165062744079 H 3.55426509334573 -5.35499570735123 8.95651277585014 H 3.74857892322417 -5.72099831353699 7.24076335014482 H 4.87638658203411 -3.59395592926322 7.78854985283571 H 3.37292878630106 -2.94203408621156 8.44459402714559 H 3.71767291493169 -2.13222476454392 6.13242267261732 H 3.84454788340455 -3.79500598937728 5.55296186366186 H 1.57497172365757 -2.88723955321419 5.14916717263875 H 1.39535697605339 -2.54594098447496 6.87380268121498 N -2.93707597263244 -2.92159857595553 5.10440288972485 H -1.95823237464928 -2.69047669755797 5.28613369524716 H -3.46697865670477 -2.39228685992485 5.79006247594631 122 energy: -139.428290657916 gnorm: 0.001688181443 xtb: 6.5.1 (b24c23e) N -3.35017883170269 -3.20850835723467 2.02293341887133 C -3.69515978427927 -3.93696780247392 0.80751787283096 C -3.23446964654854 -5.38254453509705 0.91190913141005 N -3.67271390934496 -5.91954694538764 2.19535064025208 C -5.08398749729299 -6.30642119656265 2.16709850641584 C -5.63838578481194 -6.06998147259282 3.56625783384496 N -5.31868792513866 -4.70830468454857 3.97450016478746 Mo -3.45519847219786 -4.15493242108491 3.74449054374454 N -2.40684190818633 -5.62111076102091 4.48218305993850 C -1.71940370862662 -6.42422012596647 3.48917341689115 C -2.80819871005824 -7.03185421656514 2.60073190133280 H -1.10016771217476 -7.21155089899371 3.92163496233429 H -1.05775802315439 -5.79076002086503 2.88244604927465 H -3.38369654375001 -7.74615366141675 3.19277007969700 H -2.38971678823207 -7.55544428305437 1.73368134764354 H -6.71322256311425 -6.25760969962105 3.55530166453811 H -5.18764917369881 -6.78667469017895 4.27015566172238 H -5.61893672995521 -5.65884754326302 1.46794619388478 H -5.21283435256494 -7.34811839059650 1.84691439574257 H -3.21880432793528 -3.51232446519587 -0.07881030797561 H -4.78163984553313 -3.89630406065731 0.63824967397776 H -2.14197087851139 -5.39876175148795 0.88179690184162 H -3.61698950311620 -5.97909457254076 0.07203236504326 C -3.75631240192937 -1.12932584108139 0.71391113781529 C -2.82686182407638 -1.86985730588180 1.70293715863344 C -2.74728562365424 -0.95775798520671 2.93375362374972 C -1.40441568806702 -1.97942774365553 1.08746794695123 C -0.41125587148619 -2.73236631301291 1.97531419418613 C 0.80935952583386 -3.27086641007329 1.21459370593569 C 0.49312038337518 -4.44491260322034 0.28844869320477 C 1.69080421167165 -4.74359101637868 -0.62283091016575 C 3.02244696261312 -4.49435528086601 0.09766943158722 C 2.86758391162482 -4.73358814421913 1.59576773024259 C 1.89565501643625 -3.71572219351248 2.20904460752065 C -6.02626677644964 -2.67107028323444 5.15072919073048 C -6.47282507215839 -4.00239569551800 4.54107049185372 C -7.13193609683391 -4.81466058740699 5.67754618501296 C -7.55355738756153 -3.72009564384744 3.46345464516827 C -7.10783681924677 -2.72268868170397 2.39586233564962 C -7.99807902247712 -2.67834728111415 1.14343516084518 C -9.47132172501712 -2.44583274224559 1.48122940700063 C -10.25836140956265 -2.08437675962857 0.21461668359086 C -9.71868391923207 -2.82675158604706 -1.01606092400327 C -9.10435884155472 -4.16079346217843 -0.60489665409935 C -7.86311134572508 -3.93489276666569 0.26756485940792 C -3.18741639441130 -5.34352844931626 6.79892659109686 C -2.27970714309419 -6.13509229210514 5.84865972206352 C -2.73618594470148 -7.60785843295519 5.94960074749829 C -0.81084438777973 -6.05235526264046 6.34585065088505 C -0.17668146423386 -4.67004084457727 6.18965262017374 C 1.34443769268449 -4.65046673116310 6.38929542311348 C 1.75383571571412 -5.11339059038980 7.78918767574273 C 3.26991122277150 -5.04958011094183 7.96609962092337 C 3.78810679250003 -3.63624008428066 7.71840846252958 C 3.38952394974122 -3.17044917765333 6.32165970279815 C 1.87411207501038 -3.23212385426113 6.15427259509369 H -4.76800530072765 -1.10525451127196 1.11144725410575 H -3.78188148804400 -1.58115993824144 -0.27283900974623 H -3.41244146074790 -0.10613946333976 0.58981859985004 H -2.48824175665106 0.04750713890196 2.60877996509345 H -1.98088163349673 -1.28108471592939 3.63161173586892 H -3.71200578045548 -0.90911782266782 3.43781564772771 H -1.46966752663885 -2.47658369590235 0.11940567995179 H -1.03352940703522 -0.97083410044071 0.90026053676149 H -0.93561822679448 -3.56595638915710 2.47491368230865 H -0.04193490791028 -2.06091803132736 2.75379359630936 H 1.20168813496744 -2.45337925872917 0.60081330688888 H -0.37753306007423 -4.23477616761552 -0.33341892949005 H 0.27069786942752 -5.32357561985417 0.89816123466151 H 1.63682223527540 -5.78293617734234 -0.95409068359061 H 1.64270023811679 -4.11606173312450 -1.51512934825482 H 3.35269320032465 -3.46607383493894 -0.06322965808690 H 3.79439756543254 -5.14974289166677 -0.31020327257088 H 2.50354014026756 -5.75094366813641 1.75341822969648 H 3.83947796482270 -4.65758191624619 2.08665263606847 H 1.42219878120295 -4.16434038846485 3.08552816384879 H 2.45021866601460 -2.83841435782917 2.54774684782404 H -5.48546482399156 -2.85027478360714 6.07785736229950 H -5.39777764497753 -2.12225324142746 4.45030212801011 H -6.89992514242451 -2.06781570558263 5.38356021987001 H -7.81449146443209 -4.17346239294667 6.22876453643017 H -6.37891847602790 -5.18369602456023 6.36977333371465 H -7.70421530612337 -5.66003018501130 5.30623295622876 H -8.43811748805119 -3.33726159889683 3.97318447217306 H -7.84088617597234 -4.65704216881642 2.98681913998201 H -7.09945318453505 -1.72027289929313 2.82701020874633 H -6.08292120808612 -2.96744272597638 2.09818086364773 H -7.66556200090704 -1.81667045785532 0.55304098444935 H -9.56884167898170 -1.63952592380990 2.21051507179935 H -9.88853591158813 -3.34872800760828 1.92832334752405 H -10.20263548397183 -1.00805557818111 0.03746883671011 H -11.31113312909977 -2.33250574295709 0.36554279462105 H -10.52427218048554 -2.98858706815713 -1.73503612864037 H -8.95558323316235 -2.22486716917424 -1.51488810650164 H -9.85275940641729 -4.73791802781400 -0.05824146814252 H -8.83273546847892 -4.73711765698092 -1.49186233049544 H -6.98626808450780 -3.82665585093312 -0.37538857513615 H -7.71412766302576 -4.81729521868254 0.89146806797955 H -3.26731444753067 -5.87012818143488 7.74714911807761 H -2.79265565103699 -4.35272453661703 6.99932183481633 H -4.18171263253146 -5.25045252095089 6.36253449321006 H -2.15670176290489 -8.27585357145438 5.31885891790641 H -2.61808963829602 -7.94876259410372 6.97516235510034 H -3.78769642696744 -7.69449611575607 5.68461707682383 H -0.80368749358252 -6.34154789261245 7.39634462896160 H -0.20082647571544 -6.77767455793038 5.80417847329513 H -0.61979801162605 -3.97884834421717 6.90946119183911 H -0.38970757412074 -4.30156453459879 5.17830699862478 H 1.80798233303664 -5.32017641313491 5.65554082692076 H 1.27645681687706 -4.47375419067360 8.53568052061748 H 1.42073449511352 -6.13807523230111 7.95989300627089 H 3.53695462381247 -5.37213017530185 8.97534784302460 H 3.74661777470942 -5.73582254562911 7.26128542835461 H 4.87514069643122 -3.61224626687713 7.82520927462625 H 3.36579954164020 -2.95735040784587 8.46373917824378 H 3.74043566016927 -2.14953513210968 6.15403852637581 H 3.86607858607829 -3.81366266262934 5.57823765047403 H 1.60444543531818 -2.89501847845032 5.15099291160942 H 1.40945763397915 -2.55220066305073 6.87330765550778 N -2.93358239090159 -2.91042719592583 5.08645784622588 H -1.95133828962994 -2.69067003601034 5.26351231421627 H -3.45631057519332 -2.36753506541687 5.76891600760392 122 energy: -139.428367932705 gnorm: 0.002312031407 xtb: 6.5.1 (b24c23e) N -3.36398858658147 -3.21091303211145 2.00717725734446 C -3.70715599199755 -3.94456705884341 0.79390353995070 C -3.24550921737683 -5.38914670297992 0.90464651775254 N -3.68237521409878 -5.92057614258125 2.19124707973331 C -5.09396301274111 -6.30745721690794 2.16647508031069 C -5.64383795136298 -6.07314942260854 3.56741650273568 N -5.32082955112562 -4.71259550208411 3.97797750650173 Mo -3.46148177182474 -4.15175776458876 3.73307602930849 N -2.40717969128939 -5.61101107439245 4.47216461941762 C -1.72459658974910 -6.42096510281524 3.48091500763270 C -2.81768748883957 -7.03202288725293 2.59983856008218 H -1.10387979406122 -7.20654246737244 3.91508098938021 H -1.06453587985419 -5.79133655325055 2.86788747851538 H -3.39278428957034 -7.74210574336034 3.19820436660542 H -2.40371443527553 -7.56201114051616 1.73378659297171 H -6.71909486127002 -6.25940223927273 3.55938073677821 H -5.19271051816802 -6.79176451637010 4.26896736176641 H -5.63039010451084 -5.65820940303069 1.47007093566948 H -5.22376033337631 -7.34851119009308 1.84441946109506 H -3.23039083533250 -3.52242556456283 -0.09373067929098 H -4.79359557156454 -3.90483625379211 0.62275805003978 H -2.15299174554683 -5.40553167775608 0.87344224037861 H -3.62831309067588 -5.99005706086922 0.06793083544579 C -3.77211897534042 -1.13917351161298 0.68732217866184 C -2.84303272619397 -1.87204705862023 1.68214278594504 C -2.76808888465720 -0.95298228391980 2.90760605866238 C -1.41908617156862 -1.98342688847129 1.06985260901883 C -0.42689494498958 -2.73104739619191 1.96328094590345 C 0.80000440975148 -3.26384790816173 1.20895895613686 C 0.49697305919800 -4.44118422733388 0.28258226289428 C 1.70041548901579 -4.72562933058214 -0.62547314694402 C 3.02690837060993 -4.46280190231909 0.09974569303261 C 2.86910696682746 -4.70821406483165 1.59631611236544 C 1.88555362727467 -3.70063235902572 2.20807091838055 C -6.01962441810459 -2.67920113047902 5.16539169343214 C -6.47124064079321 -4.00824189549281 4.55454875982560 C -7.12470672724034 -4.82438887242316 5.69156551962344 C -7.55670996985579 -3.72143239370828 3.48280814326228 C -7.10583361116679 -2.73283445754764 2.40949101856588 C -7.99128332461526 -2.69161623987710 1.15395115054282 C -9.46374409381259 -2.44061214550466 1.48338201754259 C -10.23897236084971 -2.07595193910087 0.21057539214488 C -9.69567567243625 -2.82509146955207 -1.01415635321779 C -9.10422763955937 -4.16696404618142 -0.59552917179839 C -7.86833753313564 -3.95706389219449 0.28905794802471 C -3.17729123186387 -5.31622967943249 6.79091613230336 C -2.27876093073422 -6.11830486342612 5.84116286300697 C -2.74445937692603 -7.58713525607015 5.95051413800992 C -0.80791267480558 -6.04381812128440 6.33450541374278 C -0.16170789368525 -4.66796107509700 6.17418399892569 C 1.35724489542840 -4.66061789325414 6.39094929724174 C 1.74585843166595 -5.12779409700020 7.79539569533424 C 3.25919259885895 -5.07315092887860 7.99400962313435 C 3.78799688981213 -3.66232276340360 7.75667982911660 C 3.41470246860174 -3.19550511101515 6.35351096762035 C 1.90169531883680 -3.24654065970743 6.16311773738759 H -4.78629755604117 -1.12043228871798 1.08004903312165 H -3.78999141703951 -1.59231790334722 -0.29868161177887 H -3.43452943881158 -0.11355146260809 0.56340745934858 H -2.51271541503809 0.05149584580800 2.57703039588247 H -2.00045009390245 -1.26849053302550 3.60805935252548 H -3.73289959541502 -0.90455498980320 3.41159154370084 H -1.48265413595727 -2.48597580278692 0.10455243080276 H -1.04889709722655 -0.97566176983328 0.87798766651716 H -0.94990946948477 -3.56659946342059 2.46131062675977 H -0.06429616044024 -2.05705061418675 2.74296639032854 H 1.19031522954699 -2.44494289745538 0.59602406810300 H -0.37499777046274 -4.24073129592600 -0.34074321380434 H 0.28272615240241 -5.32241086567344 0.89171807490032 H 1.65924385374922 -5.76487979686065 -0.95856251489444 H 1.64826928013949 -4.09718093170805 -1.51684828382762 H 3.34549934720222 -3.43007214390019 -0.05686399442498 H 3.80821851304420 -5.10734901699566 -0.30781318337517 H 2.51333904178209 -5.72928683363159 1.74916996274264 H 3.83823567820592 -4.62557606341193 2.09172579991317 H 1.41264847808953 -4.15502096249672 3.08184112004583 H 2.43102044232863 -2.81872039816318 2.55033451650442 H -5.46775338679389 -2.86125404554450 6.08603971087308 H -5.39957253173238 -2.12623201247897 4.45964078032142 H -6.89161667462820 -2.07691292714863 5.41060523903077 H -7.80114090797138 -4.18422927469291 6.25231811345767 H -6.36821225967831 -5.20073774934043 6.37609476955938 H -7.70310212297084 -5.66553893182823 5.31923075155312 H -8.43560072402134 -3.32931799019141 3.99544889762663 H -7.85422935814722 -4.65844751310271 3.01198323589341 H -7.09454904870608 -1.72784664636576 2.83438616654022 H -6.08065626732496 -2.98350730997817 2.11647187732563 H -7.64708892320012 -1.83900795301553 0.55671936540686 H -9.55638578220618 -1.63061952214095 2.20913710632619 H -9.89279973928643 -3.33729419216234 1.93206215294626 H -10.17418561447845 -1.00052776282169 0.03112724082158 H -11.29466552873515 -2.31593845159049 0.35403355259287 H -10.49508506947925 -2.97558467746550 -1.74233140110888 H -8.91894379516866 -2.23359787781263 -1.50409902393838 H -9.86609442119514 -4.73238822852942 -0.05464313556927 H -8.83263008519382 -4.74923919251952 -1.47871912610644 H -6.98185611990374 -3.86886220881005 -0.34495487296515 H -7.74194501390651 -4.83777614832561 0.92099488615617 H -3.25029458985998 -5.83475747808431 7.74453826736043 H -2.77961135250686 -4.32421651109939 6.98041355413360 H -4.17560487491955 -5.22515898139217 6.36271477452833 H -2.17235638014830 -8.26072900041539 5.31969811568235 H -2.62481406798352 -7.92470146575604 6.97667618261710 H -3.79786915560992 -7.66758281568280 5.69047640954034 H -0.80100456006982 -6.33071166803364 7.38602207696058 H -0.20433962735629 -6.77586601926967 5.79388541619138 H -0.60691369978445 -3.96758460399294 6.88393906848988 H -0.36180172394573 -4.30491056375438 5.15817440155773 H 1.82359512558491 -5.33356189262167 5.66220366771666 H 1.26181833143197 -4.48653932571310 8.53597729924883 H 1.40501020272367 -6.15085642745847 7.96011909301433 H 3.50971175397604 -5.39959743197562 9.00603206590744 H 3.74237862872213 -5.76022518600359 7.29460004080388 H 4.87302986912070 -3.64248784435522 7.88253743044228 H 3.35548761055838 -2.98198701530750 8.49472893069439 H 3.77542921132514 -2.17720957120983 6.18938974530074 H 3.89878364622096 -3.84317573592490 5.61862781624722 H 1.64965145234551 -2.90777475096750 5.15598695730719 H 1.43149682633928 -2.56258839904740 6.87472633116147 N -2.92558650692073 -2.89603409885236 5.05896526483935 H -1.93801343163896 -2.69243774888524 5.22527488709323 H -3.43539237695272 -2.33081508108900 5.73550301937496 122 energy: -139.428395988827 gnorm: 0.001665994790 xtb: 6.5.1 (b24c23e) N -3.36702192432368 -3.21203706704191 2.00302008660286 C -3.70944152030158 -3.94736725486567 0.79052142055910 C -3.24754424512777 -5.39166143429272 0.90319136776728 N -3.68423448013323 -5.92158280751209 2.19059126464808 C -5.09582351193909 -6.30865960355308 2.16632517690321 C -5.64531864898962 -6.07369073290264 3.56717489272640 N -5.32065892103153 -4.71346451827830 3.97789432391121 Mo -3.46203749961778 -4.15143527061085 3.72992712519507 N -2.40625306392872 -5.60898798368579 4.46944431202352 C -1.72516901513906 -6.42087053781143 3.47876974488589 C -2.81961367807794 -7.03274989819733 2.60018195041285 H -1.10411433800236 -7.20590298975778 3.91345693596332 H -1.06570356058726 -5.79234972985203 2.86401330050706 H -3.39452244309626 -7.74111614665282 3.20070805529116 H -2.40735115491071 -7.56481128958410 1.73462338720717 H -6.72083010204781 -6.25840260682438 3.55902138635514 H -5.19531622491931 -6.79287840324276 4.26883956017623 H -5.63241837415623 -5.65990330987060 1.46965737962560 H -5.22546376644420 -7.34992601156105 1.84496053681154 H -3.23240163037921 -3.52610892884928 -0.09736772187665 H -4.79580910528572 -3.90804203421314 0.61882729161526 H -2.15502588397414 -5.40817766797876 0.87186852222719 H -3.63049738884895 -5.99379539448558 0.06743722290317 C -3.77702521697518 -1.14227864994925 0.68038034759973 C -2.84768131507989 -1.87280413169148 1.67646003635718 C -2.77406740915482 -0.95176848481201 2.90039918604609 C -1.42319426588894 -1.98350335868226 1.06504034982941 C -0.43127577887210 -2.72954765689287 1.95989910048702 C 0.79695401119545 -3.26113796100429 1.20721064400551 C 0.49685690848270 -4.43938883683457 0.28110049051759 C 1.70156146291285 -4.72123920149762 -0.62595383075015 C 3.02665555618080 -4.45454989854770 0.10036471352012 C 2.86821374902458 -4.70114712882097 1.59663926706155 C 1.88223522915301 -3.69567752051376 2.20760621513328 C -6.01612796024870 -2.68098935278651 5.16832179860837 C -6.46967906745368 -4.00917844621445 4.55721715401502 C -7.12183610462981 -4.82605868936368 5.69436470473720 C -7.55657834827479 -3.72045489193165 3.48727600508379 C -7.10388183819251 -2.73523103328876 2.41164957082620 C -7.98886686307827 -2.69428765299317 1.15579419867938 C -9.46069110182231 -2.43899193092304 1.48419638638638 C -10.23441858651236 -2.07425477906652 0.21059614132470 C -9.69129655288891 -2.82521223368644 -1.01303519977959 C -9.10452764008056 -4.16837241134638 -0.59284892406018 C -7.86910769975019 -3.96110422083391 0.29269768658819 C -3.17490214519682 -5.30964203122306 6.78785351583664 C -2.27815047244619 -6.11469215706015 5.83918336308487 C -2.74618570674666 -7.58241888606235 5.95075186365294 C -0.80710798434785 -6.04245914468050 6.33211531779247 C -0.15828237066495 -4.66803390761539 6.17212126294570 C 1.35995287133408 -4.66341132563505 6.39301518263585 C 1.74372665469430 -5.13116081304906 7.79849926288712 C 3.25637186081796 -5.07918888104964 8.00143264424140 C 3.78804760989189 -3.66919329800780 7.76586856819331 C 3.41983512247264 -3.20189187807800 6.36175257559224 C 1.90758152098303 -3.25036782155238 6.16678386776249 H -4.79149547950747 -1.12456914638637 1.07219795193938 H -3.79331906184027 -1.59618058808949 -0.30526659143323 H -3.44085542570398 -0.11624934893563 0.55597415908723 H -2.52005910825496 0.05259098507726 2.56844257730166 H -2.00590200054696 -1.26499819638164 3.60119103889087 H -3.73887070022016 -0.90396552661553 3.40449851442611 H -1.48577099301863 -2.48699802646739 0.10020490716834 H -1.05378185558193 -0.97558582683973 0.87256973956927 H -0.95384928631828 -3.56549216206593 2.45779911876419 H -0.07026707981633 -2.05481847941127 2.73966370602775 H 1.18661388144528 -2.44203183292351 0.59413853186435 H -0.37517521786423 -4.24114690908829 -0.34278570768559 H 0.28414811997512 -5.32087287461925 0.89035142102977 H 1.66353065154181 -5.76073556284259 -0.95844562402017 H 1.64849254476274 -4.09343983353316 -1.51773021234181 H 3.34205874322749 -3.42078273874613 -0.05550609768537 H 3.81022951645134 -5.09633185069139 -0.30697134213067 H 2.51404557855508 -5.72287135053353 1.74857153234889 H 3.83659707112525 -4.61712690929661 2.09320584892512 H 1.40931882153473 -4.15092919734687 3.08090716569535 H 2.42554847317947 -2.81265023783599 2.55026293997217 H -5.46227836354839 -2.86376722339619 6.08750280529894 H -5.39734110659569 -2.12788077887084 4.46177043614033 H -6.88709240405260 -2.07831980797350 5.41571501610137 H -7.79690981110092 -4.18610128816763 6.25679941928218 H -6.36461595460261 -5.20359407671583 6.37731419265136 H -7.70135186177262 -5.66644880424550 5.32221814017161 H -8.43288763901236 -3.32434846831001 4.00126603903905 H -7.85859519845395 -4.65712393329101 3.01867269177232 H -7.09041856921163 -1.72937046384422 2.83447474853252 H -6.07915779008905 -2.98873340655687 2.11936413237531 H -7.64226717629526 -1.84363020180776 0.55744823344252 H -9.55136751795273 -1.62782379079144 2.20884654718254 H -9.89210547094648 -3.33392185861353 1.93394276987010 H -10.16813700145698 -0.99908674250195 0.03033155892152 H -11.29048539769321 -2.31280626707157 0.35334135797828 H -10.48971674364141 -2.97356731589984 -1.74253898744686 H -8.91211965823719 -2.23618660516144 -1.50168193867376 H -9.86850408423498 -4.73087292382682 -0.05229282379132 H -8.83388159320708 -4.75234755395231 -1.47518155125097 H -6.98240691899019 -3.87621656207362 -0.34079776932206 H -7.74563568074521 -4.84112600454763 0.92552252663594 H -3.24822393456914 -5.82620889342148 7.74241632249191 H -2.77586431098536 -4.31784749920865 6.97528067600161 H -4.17319266560864 -5.21787401910488 6.35997825608103 H -2.17598475467714 -8.25759827358543 5.31990212946383 H -2.62564533513055 -7.91893540626447 6.97719098289163 H -3.80009063725466 -7.66150057970335 5.69235413672216 H -0.80076675622393 -6.32957361423859 7.38354438123268 H -0.20485479414251 -6.77549290148638 5.79145337379358 H -0.60387621807947 -3.96609585008461 6.87995559717293 H -0.35512662657151 -4.30562718859183 5.15534748313608 H 1.82708052220147 -5.33726534277832 5.66561205744262 H 1.25870915732783 -4.48891955653585 8.53756488266738 H 1.40072444003301 -6.15360493956712 7.96236339116393 H 3.50339617301528 -5.40625592599869 9.01400004943411 H 3.74036703596526 -5.76699057849581 7.30333098603887 H 4.87251603521226 -3.65098640898852 7.89509390671497 H 3.35428807828110 -2.98820414149007 8.50246484263584 H 3.78270958464487 -2.18421462107983 6.19881018669343 H 3.90484209108152 -3.85031710755728 5.62826466160058 H 1.65918700821009 -2.91137093057329 5.15897979349459 H 1.43652362179030 -2.56547623655511 6.87685973057824 N -2.92200000103713 -2.89437786993267 5.05261497536785 H -1.93344459962727 -2.69354057853836 5.21548260475480 H -3.42804101276794 -2.32604360772315 5.72846848051933 122 energy: -139.428465732293 gnorm: 0.001830026030 xtb: 6.5.1 (b24c23e) N -3.37222001431150 -3.21575784285809 1.99376684166875 C -3.71196983331171 -3.95534974928995 0.78322337873073 C -3.24942981215087 -5.39900882011565 0.90076201932435 N -3.68607681945713 -5.92570260034205 2.18977348278328 C -5.09756537814654 -6.31336885824778 2.16586105931133 C -5.64825889776615 -6.07384002389678 3.56519735452067 N -5.31853873389602 -4.71429820861198 3.97498143225186 Mo -3.46049036284353 -4.15219324557360 3.72257152585609 N -2.40198360173188 -5.60667439921311 4.46347605968039 C -1.72436220303845 -6.42290542386191 3.47431338722716 C -2.82206614316037 -7.03638778235248 2.60180208602556 H -1.10301044489156 -7.20684865693347 3.91037340951676 H -1.06610274675685 -5.79706030551550 2.85590686012544 H -3.39660881925755 -7.73992501630248 3.20785095704606 H -2.41431058973173 -7.57357276959165 1.73768753684379 H -6.72466557958182 -6.25266668890109 3.55465242783638 H -5.20357537880821 -6.79426080717567 4.26902415122114 H -5.63392380211626 -5.66790438196001 1.46614010512741 H -5.22612626142557 -7.35601510813722 1.84880510679295 H -3.23385473906554 -3.53632894124252 -0.10498384722286 H -4.79804799375417 -3.91751043121634 0.60995005753763 H -2.15691991396020 -5.41572013301448 0.86958428952565 H -3.63259331515356 -6.00396502874656 0.06722271763190 C -3.78976243211253 -1.15098632498083 0.66475932739572 C -2.85909130085907 -1.87483593673873 1.66387926948051 C -2.78956239403257 -0.94970806505126 2.88482939751784 C -1.43319397657363 -1.98122625845775 1.05441698306345 C -0.44153180016554 -2.72320696849145 1.95219945891792 C 0.78885165458494 -3.25262017339599 1.20256706702451 C 0.49361527579279 -4.43310071619045 0.27786141211337 C 1.70088893759127 -4.71267208148360 -0.62627826383206 C 3.02329676791821 -4.43719994239847 0.10162129582275 C 2.86347686000272 -4.68462611674953 1.59762723006488 C 1.87332717320726 -3.68219539893880 2.20582430520998 C -6.00465372123849 -2.68353293674947 5.17242518353374 C -6.46364678018547 -4.00931619987974 4.56051617338510 C -7.11333855927317 -4.82708891838909 5.69812490980542 C -7.55405817568323 -3.71479551535749 3.49510662986969 C -7.09618447719641 -2.73922979922337 2.41273259332970 C -7.98208178206801 -2.69758447411595 1.15732658887259 C -9.45185478709612 -2.43427782814002 1.48658341285328 C -10.22632467816353 -2.07131448132043 0.21302916649444 C -9.68609787794762 -2.82646906125091 -1.00928412390094 C -9.10634888719965 -4.17100322450863 -0.58561592082120 C -7.86880142060457 -3.96652503198616 0.29683230564688 C -3.17033181010774 -5.29769743706367 6.77982945984931 C -2.27610710870022 -6.10935875407928 5.83497541946909 C -2.74892069499120 -7.57473424138384 5.95117719252838 C -0.80539612483709 -6.04190807327410 6.32855493827586 C -0.15242087047127 -4.66961426193806 6.17204703705226 C 1.36420297479080 -4.66978406236987 6.40124652579490 C 1.73884160222387 -5.13766304978527 7.80891306392720 C 3.25044997892501 -5.09202600994618 8.01847682057947 C 3.78907246120284 -3.68436063798019 7.78421217352459 C 3.42829435823445 -3.21527027483866 6.37919881267703 C 1.91729724203042 -3.25870992402234 6.17735736455733 H -4.80429418975289 -1.13446378109461 1.05527795727062 H -3.80353617492048 -1.60796219872056 -0.31960650137295 H -3.45609450404220 -0.12458004831278 0.53765599289400 H -2.53986505534314 0.05474963364273 2.55011367132127 H -2.01997426663059 -1.25716490109064 3.58618686556122 H -3.75456061242689 -0.90484693980973 3.38891370053182 H -1.49225959228663 -2.48554242124269 0.08982075329700 H -1.06703581138301 -0.97202501248820 0.86221833393610 H -0.96272951921295 -3.55993337872971 2.45046967593719 H -0.08359547173690 -2.04656373108543 2.73157166882941 H 1.17708640132280 -2.43341579951392 0.58862061940906 H -0.37792731027190 -4.23848912247329 -0.34767875885768 H 0.28237956477422 -5.31411491722055 0.88811173538997 H 1.66868029641540 -5.75348947327723 -0.95487790034698 H 1.64647182852497 -4.08847845445713 -1.52055429572577 H 3.33184005419575 -3.40145492387488 -0.05376529785548 H 3.81137473320231 -5.07373711840727 -0.30456641305469 H 2.51182852396960 -5.70725058865223 1.74871161311380 H 3.83041911293043 -4.59788020253965 2.09633170781977 H 1.39975803378932 -4.13783670581971 3.07859837928215 H 2.41255107322841 -2.79688412247689 2.54842125991575 H -5.44770447038672 -2.86859853455050 6.08875989532090 H -5.38719055596886 -2.13143568200680 4.46481836846741 H -6.87252773166010 -2.07901766758496 5.42348773352403 H -7.78627690059627 -4.18736936560932 6.26255474411029 H -6.35478507461191 -5.20562150994024 6.37872429593205 H -7.69411233865449 -5.66672613487129 5.32705650029746 H -8.42248039873819 -3.30667074155315 4.01317747752655 H -7.86958918103487 -4.65007327495934 3.03285270896573 H -7.07456830526833 -1.73103276774208 2.83007444809817 H -6.07369566069243 -3.00200275425726 2.12077497119364 H -7.63151862088886 -1.85016689500876 0.55749296155031 H -9.53704138041430 -1.61975221167034 2.20809362156475 H -9.88661760567769 -3.32511189942950 1.94078193541164 H -10.15867269593257 -0.99675366564342 0.02999450203047 H -11.28247822928566 -2.30816514717583 0.35742043324776 H -10.48459481826107 -2.97207659933496 -1.73888120063317 H -8.90393460511847 -2.24213699685334 -1.49802198162028 H -9.87243586292526 -4.72738961232318 -0.04280336926447 H -8.83978714129443 -4.75941112255278 -1.46622123882787 H -6.98502885806298 -3.88558357877376 -0.33949249661479 H -7.74651467529684 -4.84492181244054 0.93066695109579 H -3.24892389342911 -5.81088170391899 7.73543435220303 H -2.76663108470045 -4.30759093593731 6.96496616861058 H -4.16648878018814 -5.20160486445102 6.34865999508180 H -2.18261623617400 -8.25337707351945 5.32017994402749 H -2.62558252087411 -7.90885144352235 6.97835031211241 H -3.80389257769298 -7.65135888860577 5.69683901212938 H -0.80119719922462 -6.33129786297233 7.37914827077372 H -0.20500600934697 -6.77541376816105 5.78702325351039 H -0.59900650952662 -3.96619980968382 6.87741370354402 H -0.34254076973026 -4.30685591716170 5.15439867837636 H 1.83345299120485 -5.34566592689081 5.67692440738990 H 1.25324778133780 -4.49210157625147 8.54481100606560 H 1.39063450380437 -6.15833412441611 7.97266760872601 H 3.49170575697364 -5.41927554316982 9.03221787629735 H 3.73456409864543 -5.78249132297650 7.32298927839365 H 4.87272627152091 -3.67121710568493 7.91750188884637 H 3.35553629716632 -3.00140909529770 8.51895058521690 H 3.79500026415595 -2.19868537917340 6.21912041729048 H 3.91393916011875 -3.86439844776557 5.64705292364216 H 1.67445664131958 -2.91947229692805 5.16858388085732 H 1.44505154841185 -2.57235722565006 6.88517147089635 N -2.91029183670992 -2.89503516345690 5.04030277302997 H -1.92005843763927 -2.69708203276443 5.19438138285316 H -3.40851470573250 -2.32209490614886 5.71509517201002 122 energy: -139.428533040275 gnorm: 0.002186423125 xtb: 6.5.1 (b24c23e) N -3.37792958508979 -3.22084343363008 1.98298719637638 C -3.71392673268251 -3.96522030470107 0.77449714387779 C -3.25018204652537 -5.40808307897453 0.89768561026747 N -3.68701405841101 -5.93085440661565 2.18832758744999 C -5.09853346912760 -6.31838947226347 2.16502155722950 C -5.65079280453976 -6.07305215813491 3.56266599691455 N -5.31560219456268 -4.71436540966260 3.97126697659225 Mo -3.45771676471702 -4.15323560761474 3.71445218971713 N -2.39759243545653 -5.60552395112620 4.45777487336818 C -1.72315789364156 -6.42626995326154 3.47044453403364 C -2.82386785691422 -7.04113504425012 2.60302356674858 H -1.10229299361392 -7.20961652342298 3.90820344347759 H -1.06526685189534 -5.80354044279457 2.84869918198769 H -3.39833476535438 -7.74013229097030 3.21404997794351 H -2.41982721934565 -7.58305994446139 1.74039595713856 H -6.72818621347146 -6.24548955091799 3.54917307585361 H -5.21219705036082 -6.79474285055906 4.26912804097668 H -5.63448982900714 -5.67666656528282 1.46160887305085 H -5.22649911197939 -7.36262830046179 1.85304642091296 H -3.23404370304104 -3.54894115111319 -0.11394639427219 H -4.79960154635245 -3.92922522804318 0.59876315535932 H -2.15764653652812 -5.42431342794205 0.86696009836487 H -3.63295801297392 -6.01620778773212 0.06632217163834 C -3.80513896024111 -1.16205147533560 0.64620056746376 C -2.87270543053035 -1.87779668111926 1.64936497072859 C -2.81027934417586 -0.94737184591713 2.86691439122674 C -1.44506119185828 -1.97786921244835 1.04295171081599 C -0.45287688875618 -2.71497782410056 1.94369668523609 C 0.78017812601029 -3.24162532481572 1.19712732243660 C 0.48979444315112 -4.42462632094933 0.27398290870762 C 1.69988762654882 -4.70352637054618 -0.62681965001498 C 3.01963883280597 -4.41898834876044 0.10255938934047 C 2.85873743897339 -4.66548593223099 1.59871298624236 C 1.86368744440422 -3.66598840725219 2.20346016777321 C -5.99145286850550 -2.68505598748536 5.17643351797567 C -6.45642839290657 -4.00820632221654 4.56325337896773 C -7.10402704084850 -4.82678339477308 5.70134205259769 C -7.55015665490189 -3.70709606320260 3.50266750349403 C -7.08669829007568 -2.74166150808094 2.41343143515045 C -7.97426982781367 -2.69965177032463 1.15895110801331 C -9.44200683921221 -2.42744065804044 1.48968137635936 C -10.21829326443742 -2.06731609548709 0.21613106791843 C -9.68213921410872 -2.82830952888993 -1.00451180496041 C -9.10889296900584 -4.17447862908011 -0.57665601779613 C -7.86847625069387 -3.97218770272398 0.30245160777874 C -3.16578545319494 -5.28704754966111 6.77241430401573 C -2.27406121018865 -6.10524652595618 5.83084870247941 C -2.75211120972922 -7.56850400042053 5.95122519826511 C -0.80372202175948 -6.04260129139058 6.32524950016441 C -0.14638393408243 -4.67211589991635 6.17239588529114 C 1.36885126420728 -4.67714607105081 6.41097692592990 C 1.73348312357475 -5.14492882470949 7.82148356983515 C 3.24445237195193 -5.10628285091285 8.03846396050320 C 3.79119920214316 -3.70126573098803 7.80525528022661 C 3.43839794662718 -3.23002951781669 6.39861176381284 C 1.92807026792135 -3.26804538055190 6.18946888321031 H -4.81998428283573 -1.14694763787724 1.03528914676605 H -3.81609695436827 -1.62365013786599 -0.33619007937727 H -3.47439244688049 -0.13526937070024 0.51474456108913 H -2.56674882080476 0.05749461733392 2.52880017170352 H -2.03942241424837 -1.24706382847439 3.57003883002093 H -3.77608260864280 -0.90700446085773 3.36981391089051 H -1.49963014501530 -2.48284600188923 0.07839818024188 H -1.08299921511160 -0.96700589003382 0.85122155518060 H -0.97196281451422 -3.55300790656970 2.44233392335561 H -0.09874541662569 -2.03589047220284 2.72264747988494 H 1.16680700536277 -2.42222933792582 0.58234114182198 H -0.38081539870151 -4.23318105255233 -0.35385580454423 H 0.27888060419194 -5.30479925768688 0.88556744031672 H 1.67290864967511 -5.74618960737325 -0.95028114397207 H 1.64469982896494 -4.08395255642594 -1.52434598104234 H 3.32188154800242 -3.38150094086358 -0.05357341020540 H 3.81205834194832 -5.05123809138161 -0.30174331286191 H 2.51037918999220 -5.68920616133994 1.75025992379555 H 3.82445697803613 -4.57454413983249 2.09905589150964 H 1.38914195531711 -4.12223117681205 3.07552987187814 H 2.39860683125895 -2.77820534099373 2.54637661283775 H -5.42956734511564 -2.87361434037363 6.08900409916116 H -5.37682979022688 -2.13271865580965 4.46688204536822 H -6.85648296852801 -2.07942253294606 5.43361434309541 H -7.77508939097406 -4.18711056692169 6.26775265732574 H -6.34410359274032 -5.20629010003321 6.37987543418169 H -7.68595353601615 -5.66583250295309 5.33109263469087 H -8.41052383588296 -3.28658014300925 4.02438790696844 H -7.87953484896013 -4.64075554765069 3.04683344231767 H -7.05571914586763 -1.73118764518932 2.82509267078605 H -6.06700980563906 -3.01497820436367 2.12124470884569 H -7.61986580324634 -1.85601911323961 0.55602633469207 H -9.52124786281315 -1.60858184968880 2.20703480318580 H -9.88011358117275 -3.31361207226877 1.94993452263573 H -10.14902794034568 -0.99349323283722 0.02898703836098 H -11.27466294491232 -2.30190237646581 0.36336431583635 H -10.48187939518712 -2.97184810638763 -1.73329864540127 H -8.89718675122337 -2.24902492573515 -1.49510814638949 H -9.87697597337097 -4.72431634485772 -0.03003245642398 H -8.84695942112106 -4.76813991787110 -1.45523293724363 H -6.98635489378626 -3.89683790430555 -0.33695988600117 H -7.74796543575689 -4.84887602408447 0.93919923632507 H -3.24990290099529 -5.79770157646771 7.72882710715097 H -2.75676004006230 -4.29888918273782 6.95618342719881 H -4.15991180551078 -5.18603303493744 6.33779624739966 H -2.18969981786942 -8.25062291963925 5.32012371525791 H -2.62655826075118 -7.90071940871573 6.97893175331576 H -3.80808817079314 -7.64210309785982 5.70041918725907 H -0.80165058836564 -6.33383725573191 7.37519463588134 H -0.20480439985055 -6.77663933442513 5.78302170435224 H -0.59482368006197 -3.96728576630524 6.87521273469714 H -0.32915685909226 -4.30889299143404 5.15360415114543 H 1.84052691645336 -5.35526659096062 5.69014930602725 H 1.24720138911467 -4.49590119199931 8.55408984341702 H 1.37949279959947 -6.16369781824415 7.98514373117998 H 3.47932412770582 -5.43336263713032 9.05399107197265 H 3.72860040912830 -5.80002243677192 7.34605255121261 H 4.87456651862177 -3.69405012026946 7.94249894018464 H 3.35848572612795 -3.01591402638349 8.53843191738772 H 3.80935207436838 -2.21456738410561 6.24123607821780 H 3.92515411495758 -3.88008466404263 5.66794236561175 H 1.69135224994573 -2.92825455028909 5.17924050991851 H 1.45446632851934 -2.57996914381015 6.89485147115832 N -2.89626611725246 -2.89423180864780 5.02561659837254 H -1.90364284763188 -2.70122200735584 5.17239744489725 H -3.38716347417723 -2.31421626134033 5.69913459098139 122 energy: -139.428596141395 gnorm: 0.001974978980 xtb: 6.5.1 (b24c23e) N -3.38219698419766 -3.22586547807139 1.97372630353518 C -3.71405105813006 -3.97421502063012 0.76668504484906 C -3.24915864703114 -5.41634086823316 0.89505329286232 N -3.68647183910282 -5.93576895390851 2.18682421716466 C -5.09822415014525 -6.32230251486686 2.16413758866658 C -5.65216491563696 -6.07153313147360 3.56022653187618 N -5.31235602449312 -4.71372866677360 3.96792657261763 Mo -3.45427849491710 -4.15436465714781 3.70774973911800 N -2.39389127610817 -5.60569584886577 4.45380182839654 C -1.72162494834138 -6.43002353016917 3.46814284061882 C -2.82429641660215 -7.04589687458466 2.60376064876020 H -1.10159084197061 -7.21319325710714 3.90743911382287 H -1.06338511175416 -5.80989491958693 2.84418884501051 H -3.39901983071902 -7.74186571546948 3.21788941706229 H -2.42222447343187 -7.59105832953718 1.74231977793072 H -6.73038612130832 -6.23866259538841 3.54384775750821 H -5.21903998645063 -6.79433003565278 4.26902782836881 H -5.63334079134817 -5.68360977460958 1.45735512557053 H -5.22650012164369 -7.36781634190773 1.85654714233272 H -3.23208697295477 -3.56015773524978 -0.12171184468019 H -4.79929527034343 -3.93994672780833 0.58802716873328 H -2.15659092639031 -5.43177648385716 0.86515334727000 H -3.63080409557638 -6.02723263005076 0.06520505976811 C -3.81900060664472 -1.17326247879169 0.62975911562768 C -2.88468625639089 -1.88072483070546 1.63721671645160 C -2.83046590242686 -0.94600232515394 2.85215953371923 C -1.45551173631594 -1.97431389969374 1.03373638461502 C -0.46205235923523 -2.70686175684978 1.93670447787460 C 0.77332435815705 -3.23108196380874 1.19239653701559 C 0.48627638356109 -4.41620013567301 0.27085892703600 C 1.69847372861851 -4.69637652848749 -0.62691444845355 C 3.01643936818341 -4.40522103818330 0.10288019670539 C 2.85482742900661 -4.64904578960972 1.59945266936232 C 1.85609468855130 -3.65131929297351 2.20109340709505 C -5.97956489490205 -2.68488130859781 5.17876043753278 C -6.44964252655248 -4.00580001044544 4.56441992811781 C -7.09646334575037 -4.82452144577358 5.70281369223149 C -7.54527481801519 -3.69932466853501 3.50728937914922 C -7.07792665411385 -2.74174292526073 2.41276508181751 C -7.96775577760272 -2.69952796099598 1.15980851878742 C -9.43367555461513 -2.42044176245882 1.49276537853874 C -10.21267392261292 -2.06400512588023 0.21962499682971 C -9.68138904303291 -2.83076881273973 -0.99950994327711 C -9.11145064987812 -4.17720145688422 -0.56776670358746 C -7.86796584028324 -3.97522153450040 0.30713685611042 C -3.16282395104158 -5.28110516771059 6.76718387578380 C -2.27244455161720 -6.10345461429354 5.82784759316683 C -2.75460998757050 -7.56528661453042 5.95067870257632 C -0.80261090195224 -6.04446216954596 6.32379068271037 C -0.14174281571733 -4.67521302190586 6.17431217390295 C 1.37238681669900 -4.68360698588361 6.42034609251309 C 1.72966967548122 -5.15068292066230 7.83300603296266 C 3.24011992441265 -5.11754450299195 8.05511218065362 C 3.79368847022182 -3.71509108406996 7.82217839262788 C 3.44615025717230 -3.24235285509991 6.41455003086548 C 1.93628526766382 -3.27610747698616 6.20048314963336 H -4.83404894853425 -1.15922458138513 1.01812524735823 H -3.82801702460479 -1.63977099448501 -0.35039361895185 H -3.49106571837531 -0.14621300123506 0.49339433524364 H -2.59338514671950 0.05941260200681 2.51104135637334 H -2.05884426854123 -1.23798119160604 3.55768572174606 H -3.79741428340973 -0.91058098793543 3.35311678755967 H -1.50581055762554 -2.47946534865596 0.06898899681397 H -1.09755852024488 -0.96182352537810 0.84273459740277 H -0.97879474295300 -3.54618077601283 2.43601251997256 H -0.11116347742080 -2.02535210876545 2.71502353520916 H 1.15866974706732 -2.41166076144983 0.57684817003856 H -0.38323432744798 -4.22668366235398 -0.35912385094803 H 0.27466801929784 -5.29524746722623 0.88387769875200 H 1.67451239221409 -5.74075069358877 -0.94516402164492 H 1.64321898607767 -4.08148197516856 -1.52765874682446 H 3.31474482291279 -3.36691159305418 -0.05525001904264 H 3.81159483718987 -5.03535827381361 -0.29933144906097 H 2.50934374765811 -5.67348565512348 1.75281924797604 H 3.81977177803808 -4.55405280115299 2.10051021377187 H 1.38085836137476 -4.10765801649643 3.07280576777715 H 2.38798134181223 -2.76172953543733 2.54408236845281 H -5.41307491354613 -2.87645067851153 6.08789869569489 H -5.36788336154900 -2.13174459729073 4.46740770376736 H -6.84232869972553 -2.07860535489224 5.44188582564580 H -7.76662922450903 -4.18470804949416 6.27010146137757 H -6.33604877828271 -5.20454910736702 6.38053949118425 H -7.67901259948548 -5.66329197427989 5.33297533942603 H -8.39969345531875 -3.26971103891574 4.03117314020443 H -7.88469776168898 -4.63159156457789 3.05618342986074 H -7.03913941657695 -1.72975473757999 2.82005865782665 H -6.06083098513378 -3.02348273247228 2.11971596639377 H -7.61122444676564 -1.85910203540272 0.55354243947296 H -9.50792925427550 -1.59765385912283 2.20617737453487 H -9.87368144357907 -3.30266892062440 1.95882636376600 H -10.14220734472025 -0.99103302185938 0.02792089084349 H -11.26904897280982 -2.29637286258520 0.37070325891002 H -10.48309036438673 -2.97431447836383 -1.72623389991679 H -8.89554306304719 -2.25560714645684 -1.49373744347577 H -9.87983090806690 -4.72229199762031 -0.01672862375780 H -8.85379105918786 -4.77518672690343 -1.44465168365554 H -6.98758994985916 -3.90408693070245 -0.33542372165767 H -7.74733650622174 -4.85018093007346 0.94647492100215 H -3.25153734815302 -5.79097084439499 7.72361878273076 H -2.74990711625375 -4.29463954137628 6.95137390537998 H -4.15531919487614 -5.17603464372705 6.32975815263545 H -2.19486476436797 -8.24977560241144 5.31972404075283 H -2.62850592695797 -7.89668215475735 6.97860083298779 H -3.81109159180980 -7.63615913777555 5.70142046803197 H -0.80240331880083 -6.33719228369947 7.37329431167332 H -0.20447011198803 -6.77884091648971 5.78116290723207 H -0.59203799512252 -3.96953250194060 6.87513979013489 H -0.31879504860353 -4.31149108398148 5.15472796962944 H 1.84588409277263 -5.36360638102378 5.70248655823963 H 1.24328009033156 -4.49869319600805 8.56294645391208 H 1.37131855207588 -6.16788124592331 7.99696097427956 H 3.47030143557468 -5.44400821483611 9.07198789602371 H 3.72372380575795 -5.81431983053700 7.36536858167538 H 4.87695600522232 -3.71307206094657 7.96144290294419 H 3.36284808572578 -3.02741992778157 8.55436105068140 H 3.82030938254754 -2.22779042860487 6.25899808687891 H 3.93344079382793 -3.89328535451174 5.68494318827588 H 1.70407970111056 -2.93579456085224 5.18928901837090 H 1.46227625640710 -2.58647265564505 6.90407582846128 N -2.88425565014907 -2.89267884331359 5.01273513187538 H -1.89004621708071 -2.70371380274622 5.15492272672386 H -3.36989239913801 -2.30766313668172 5.68592860118904 122 energy: -139.428713759263 gnorm: 0.001331673832 xtb: 6.5.1 (b24c23e) N -3.39080398505449 -3.23862307087513 1.95277925192339 C -3.71230565434355 -3.99592617153723 0.74873792873845 C -3.24454634538603 -5.43601973478229 0.88909367733903 N -3.68339996587035 -5.94731944433959 2.18331080711202 C -5.09610306345763 -6.33004949896595 2.16238910373035 C -5.65336282057167 -6.06712597449855 3.55523906674575 N -5.30380236589799 -4.71127061831522 3.96077350414429 Mo -3.44486920452210 -4.15741010702303 3.69326002150176 N -2.38544478063177 -5.60768616260233 4.44635040875609 C -1.71737016643396 -6.43965111894941 3.46449710023338 C -2.82352197177624 -7.05727675837468 2.60502625882261 H -1.09963496505939 -7.22274522818483 3.90736290989472 H -1.05757147443972 -5.82520392061303 2.83640624766987 H -3.39925538068793 -7.74801960753580 3.22404883527877 H -2.42407222339915 -7.60820379697112 1.74595480881063 H -6.73327185079827 -6.22338438287927 3.53279458465821 H -5.23174451686569 -6.79205991376227 4.26902214268885 H -5.62869974787529 -5.69715561538259 1.44847052835025 H -5.22660599760413 -7.37807012729233 1.86413728341153 H -3.22461339682734 -3.58706093872570 -0.13913603701543 H -4.79641642356145 -3.96521660317079 0.56225419053081 H -2.15184269755898 -5.44910970525502 0.86173409797075 H -3.62274482088792 -6.05340050985233 0.06237568454745 C -3.85039926565771 -1.19996095921189 0.59215074069539 C -2.91196586832020 -1.88834453539879 1.60960316418330 C -2.87933988572752 -0.94360214725791 2.81824629893044 C -1.47871009948907 -1.96514571057469 1.01398886423232 C -0.48150553779785 -2.68698991475942 1.92161492644599 C 0.75904609941231 -3.20587236675690 1.18190721707148 C 0.47869028537504 -4.39578473565538 0.26431332506758 C 1.69479502283422 -4.68100684349708 -0.62698890080305 C 3.00933627207517 -4.37662735652480 0.10308494273541 C 2.84706617265578 -4.61176816580950 1.60106789698743 C 1.84058044784251 -3.61712642325030 2.19542260124569 C -5.95290418382595 -2.68243261402772 5.18249602112365 C -6.43378169877728 -3.99840977284720 4.56542752417758 C -7.08076461926998 -4.81652156923716 5.70418812484628 C -7.53246067185836 -3.68079889278927 3.51489557055971 C -7.05788395453116 -2.73839070968495 2.41024772136753 C -7.95363301621238 -2.69658757125874 1.16136039301737 C -9.41561519843615 -2.40327602332368 1.50010773760041 C -10.20191165239047 -2.05602277944174 0.22847181754947 C -9.68322180207083 -2.83763221065936 -0.98668211788248 C -9.11785661598967 -4.18341961922815 -0.54600734520021 C -7.86683424744547 -3.97970109691666 0.31794602560620 C -3.15747680972125 -5.27160877076278 6.75697704025734 C -2.26908864590111 -6.10168806113712 5.82217897737567 C -2.75968110301004 -7.56088962610774 5.94866618453766 C -0.80046278989265 -6.05015040426937 6.32243637505051 C -0.13206991217661 -4.68341515837308 6.18007983544655 C 1.37972838988792 -4.69860451655318 6.44192952506805 C 1.72190700533013 -5.16353789630221 7.85922897037977 C 3.23129020744372 -5.14194503416257 8.09216720962387 C 3.79947891123773 -3.74537355576381 7.85870300584116 C 3.46259755734678 -3.27001251912439 6.44884066768229 C 1.95357627391992 -3.29465812986976 6.22500065043511 H -4.86607141057888 -1.18816472888122 0.97893372727601 H -3.85504555571422 -1.67848596429574 -0.38226745800493 H -3.52900474641183 -0.17240992668506 0.44346068686183 H -2.65870431978255 0.06354929634160 2.47070919614411 H -2.10632600742304 -1.21673234070367 3.53005014777424 H -3.84939573721884 -0.92151346387076 3.31384479060493 H -1.51876980355988 -2.47021018114824 0.04861232139153 H -1.13093710044043 -0.94866259639008 0.82506386159452 H -0.99237109862524 -3.52945945511607 2.42277154960130 H -0.13802649399388 -1.99969469236400 2.69828741168725 H 1.14153519930864 -2.38649304140439 0.56459632569053 H -0.38809049319020 -4.20987545919604 -0.37057858259504 H 0.26447888271151 -5.27175621482493 0.88101008994434 H 1.67569967951639 -5.72929761502400 -0.93295132134390 H 1.64001758148261 -4.07710109277566 -1.53524199539510 H 3.30149759743065 -3.33757648794278 -0.06162770602360 H 3.80893626447119 -5.00473121851551 -0.29359840087858 H 2.50832109521399 -5.63761785755688 1.76051210715096 H 3.81070790383253 -4.50672751618377 2.10275196668314 H 1.36426717626006 -4.07348816064690 3.06669830271822 H 2.36631092278139 -2.72366150537923 2.53820200573706 H -5.37548953804933 -2.88088184636339 6.08358859472954 H -5.34885764943418 -2.12625826676764 4.46700154897745 H -6.81114654164057 -2.07565636712451 5.45998837860612 H -7.74994868679334 -4.17594249194531 6.27200455020266 H -6.32042898492717 -5.19735497336062 6.38164195898444 H -7.66428344870493 -5.65484578970874 5.33473296565575 H -8.37548963547504 -3.23371401795038 4.04235903090346 H -7.89078908764750 -4.61027251292140 3.07277455949562 H -7.00327970606807 -1.72364864812035 2.80889902380758 H -6.04643771034075 -3.03688762105004 2.11443598985713 H -7.59374615698108 -1.86326919428777 0.54684437450758 H -9.47898663942560 -1.57148403378166 2.20423733207442 H -9.85885749300546 -3.27673124830710 1.97986435255625 H -10.12822159734927 -0.98526880876915 0.02514374675705 H -11.25831686322685 -2.28226599820235 0.38973761349024 H -10.49093783503565 -2.98364805637871 -1.70652500378084 H -8.89741950567249 -2.27162325824972 -1.49216626384443 H -9.88533864653497 -4.71887309787645 0.01629848783840 H -8.86983229826975 -4.79121305440785 -1.41900047748883 H -6.99043483915486 -3.91768124660487 -0.33207358409540 H -7.74477375399287 -4.85038901823569 0.96380022885941 H -3.25504108108773 -5.78052557954743 7.71331927760024 H -2.73758910096258 -4.28817102052075 6.94268908133239 H -4.14689041916301 -5.15932251141141 6.31417929943085 H -2.20431935738984 -8.25009111518520 5.31903769207948 H -2.63486383999120 -7.89090328702742 6.97711554295397 H -3.81667953586171 -7.62585459901005 5.70019552539569 H -0.80493191031417 -6.34582590720254 7.37118559056315 H -0.20355686934704 -6.78558449891132 5.77962397381823 H -0.58677726091559 -3.97585693487406 6.87634352440083 H -0.29699485949302 -4.31893041623415 5.15872356971724 H 1.85697021245557 -5.38253144017347 5.73038770635320 H 1.23540101845044 -4.50512638972777 8.58334789129812 H 1.35454622778731 -6.17736185772756 8.02431321716392 H 3.45142949645683 -5.46653119189172 9.11208826622677 H 3.71377193624550 -5.84551171633755 7.40852581708624 H 4.88263829099586 -3.75460587605166 8.00157540821014 H 3.37354898965539 -3.05226959721220 8.58884894982194 H 3.84342695104816 -2.25740153905824 6.29637029469682 H 3.95073373986451 -3.92308251550669 5.72148298779445 H 1.73075945425006 -2.95324479243299 5.21185303974950 H 1.47903499217657 -2.60167668796300 6.92497299272744 N -2.85751758797260 -2.88949393625474 4.98495785990969 H -1.86047274497924 -2.70783601408765 5.11836746369386 H -3.33342990765892 -2.29528810225774 5.65820119616456 122 energy: -139.428779231848 gnorm: 0.001120245585 xtb: 6.5.1 (b24c23e) N -3.39590793316857 -3.24804810750493 1.93728808089220 C -3.70941566480312 -4.01146828053247 0.73512451477579 C -3.24043795317329 -5.45003405397839 0.88485015822004 N -3.68038010328223 -5.95514868171547 2.18094395402012 C -5.09413641822800 -6.33392264298386 2.16193143740563 C -5.65211582782160 -6.06393988241001 3.55326773963648 N -5.29688832247327 -4.70929173097262 3.95740406250720 Mo -3.43787950643554 -4.15898952448320 3.68269316825337 N -2.37976200245668 -5.60865822434123 4.44136575269402 C -1.71422170840331 -6.44594808200376 3.46240577564920 C -2.82222783827384 -7.06517427054783 2.60585364381521 H -1.09772594469434 -7.22855874826338 3.90797556990524 H -1.05345660712722 -5.83515604585888 2.83153604196231 H -3.39871312071503 -7.75341878865646 3.22705909457707 H -2.42355444969828 -7.61926736866079 1.74826731007028 H -6.73279920854431 -6.21459713738506 3.52836403941924 H -5.23625622221712 -6.78978862966428 4.26938474648074 H -5.62470505836558 -5.70301150883210 1.44484476953208 H -5.22774973251408 -7.38286068188310 1.86833559169417 H -3.21685681916152 -3.60615116877586 -0.15190019111492 H -4.79252454758045 -3.98282674997092 0.54225912921095 H -2.14763331336280 -5.46166428922430 0.85954173608412 H -3.61588645812480 -6.07265034310874 0.06070332306607 C -3.87144654999227 -1.22107731429175 0.56386155867968 C -2.93070406589322 -1.89421296771775 1.58972329530951 C -2.91548059934412 -0.94356644202153 2.79408417975157 C -1.49426229537907 -1.95886016084568 1.00045616332675 C -0.49414216324757 -2.67254314905870 1.91173542549545 C 0.74999609167688 -3.18785732194768 1.17523576544030 C 0.47426760402102 -4.38149384846001 0.26107057708448 C 1.69285150210929 -4.66952442540831 -0.62607528014988 C 3.00564686381369 -4.35698139560559 0.10332198077131 C 2.84287618655713 -4.58480395495701 1.60236596472956 C 1.83108434259793 -3.59242294404682 2.19195150977930 C -5.93511594130859 -2.67985352674288 5.18451377459202 C -6.42263541060324 -3.99265658409494 4.56605155418581 C -7.07125739936639 -4.80957993672921 5.70475112829502 C -7.52208622918350 -3.66883653863625 3.51862412128825 C -7.04502481273401 -2.73405082431794 2.40879714315166 C -7.94490032004533 -2.69324475888908 1.16293335034399 C -9.40411895531041 -2.39088875396610 1.50581435758845 C -10.19499737243532 -2.04988188588766 0.23535794113334 C -9.68641771469930 -2.84292921791245 -0.97652624602817 C -9.12289605551414 -4.18725558294114 -0.52881101359181 C -7.86664596322193 -3.98178826894121 0.32696091832181 C -3.15433386097375 -5.26595886934613 6.75028826075258 C -2.26717756320505 -6.10048905677230 5.81827270975153 C -2.76339774818416 -7.55795011784032 5.94666615657974 C -0.79944299255025 -6.05411862887892 6.32234655261015 C -0.12535372753493 -4.68971852878476 6.18369044355823 C 1.38472336601079 -4.71002783437861 6.45593721844715 C 1.71665531772527 -5.17349760307485 7.87626244914569 C 3.22496865101632 -5.15913685220879 8.11738613799849 C 3.80263627146347 -3.76656576173060 7.88375502417263 C 3.47387543684755 -3.29092284977010 6.47187830150030 C 1.96559336287531 -3.30867781333914 6.24081070200018 H -4.88780545733004 -1.21106179425281 0.94900281979454 H -3.87216337870394 -1.70822847915743 -0.40621959820051 H -3.55538390272523 -0.19318433574766 0.40650289666955 H -2.70751033216721 0.06478189498419 2.44234659663522 H -2.14220056195409 -1.20254786278750 3.51089684535411 H -3.88794521200705 -0.93220424421266 3.28510961107122 H -1.52658476129336 -2.46389045861597 0.03473687966177 H -1.15443297301114 -0.93949359205153 0.81301080177899 H -1.00076399246099 -3.51695865306597 2.41464451837260 H -0.15517204660581 -1.98135077006508 2.68697971035284 H 1.13046576090797 -2.36871232591902 0.55641472742997 H -0.39114892698698 -4.19892691989412 -0.37668978714713 H 0.25930668085224 -5.25523131046682 0.88074558842738 H 1.67670360966381 -5.72000901770977 -0.92466081552728 H 1.63820721917065 -4.07234754509790 -1.53866796850378 H 3.29477634013622 -3.31789179792474 -0.06690134061172 H 3.80760413221987 -4.98490058829641 -0.28926856505850 H 2.50928718044010 -5.61153354046113 1.76699601850133 H 3.80572709326954 -4.47218744825208 2.10391262097008 H 1.35478738380148 -4.04858596912140 3.06342336015460 H 2.35266359161074 -2.69611094823156 2.53380861700704 H -5.35060074584546 -2.88225751908897 6.08005978776946 H -5.33660115029661 -2.12102971431532 4.46669090616477 H -6.79052092433731 -2.07341190660181 5.47140922673540 H -7.74007205096997 -4.16775712217882 6.27181474186644 H -6.31213762476444 -5.19124857347604 6.38309655112555 H -7.65577431781970 -5.64717809903644 5.33506707116928 H -8.35971266340919 -3.21376518779877 4.04733939510114 H -7.88908830513887 -4.59671014757810 3.08072886671990 H -6.98280858324572 -1.71816232267435 2.80284313626561 H -6.03673722806272 -3.04051638328992 2.11105170934880 H -7.58360591940079 -1.86490153825395 0.54240801993555 H -9.46047207502490 -1.55358121612326 2.20387346626495 H -9.84900040736696 -3.25855504061784 1.99425536208514 H -10.11745770048570 -0.98109595273179 0.02338363472313 H -11.25163736993109 -2.26979527431961 0.40379708928146 H -10.49900993867165 -2.99174246660791 -1.69043983396983 H -8.90156898864502 -2.28365264681109 -1.49110382507862 H -9.88890677927824 -4.71659896501364 0.04140696116844 H -8.88130362806707 -4.80190365389983 -1.39876233516922 H -6.99336236881947 -3.92630765695281 -0.32800979534165 H -7.74334400736446 -4.84892448770594 0.97750077293168 H -3.25451556052732 -5.77294894347334 7.70752831368641 H -2.73211079516341 -4.28320593434645 6.93488907398133 H -4.14283189198830 -5.15222269544143 6.30617364978176 H -2.20930703757526 -8.25026564617158 5.31950407375132 H -2.64227652946368 -7.88676456328392 6.97589327499311 H -3.82008716798958 -7.61922726114492 5.69585426849360 H -0.80778204593999 -6.35084037939913 7.37087429439973 H -0.20350099623659 -6.79120872430205 5.78055438723552 H -0.58266124503969 -3.97993506346312 6.87598123504643 H -0.28200366097471 -4.32566821932043 5.16092892299992 H 1.86398259023192 -5.39670108080820 5.74849871756458 H 1.22971950735076 -4.51093045747015 8.59623396836743 H 1.34345066188949 -6.18508864107099 8.04196042580254 H 3.43765249955105 -5.48227732652836 9.13938319157727 H 3.70731230822562 -5.86724138665893 7.43839383574980 H 4.88535666107844 -3.78246713900373 8.03041899967936 H 3.37879617010867 -3.06962529232499 8.61151402035946 H 3.86002342124590 -2.28009494368465 6.32044709605219 H 3.96249565216933 -3.94650675727719 5.74697415145472 H 1.74902315705619 -2.96660899113804 5.22647525463501 H 1.49102778324251 -2.61315816704324 6.93822998211327 N -2.83976966870084 -2.88620137194217 4.96507519062282 H -1.84115623641393 -2.70752095273280 5.09174032737980 H -3.30990374144587 -2.28801181925347 5.63943332327092 122 energy: -139.428835558309 gnorm: 0.001043885329 xtb: 6.5.1 (b24c23e) N -3.39934562340971 -3.25710646355927 1.92379795491601 C -3.70596384850116 -4.02556928306619 0.72313417267094 C -3.23648259815683 -5.46263688887904 0.88088861774163 N -3.67739537761788 -5.96109811387417 2.17906973197302 C -5.09235518444407 -6.33541581151674 2.16254598202068 C -5.64868032009728 -6.06161778591898 3.55382465171224 N -5.29022123564697 -4.70744180139442 3.95621900124379 Mo -3.43160988167043 -4.15984897995394 3.67414193330539 N -2.37507032083629 -5.60903611684905 4.43752897748427 C -1.71149390863877 -6.45060059401562 3.46100527270160 C -2.82072048297244 -7.07122738871347 2.60660325145328 H -1.09554132821960 -7.23231965014173 3.90891274975752 H -1.05033933297919 -5.84259019829001 2.82764897058390 H -3.39784169610064 -7.75795717713330 3.22894064194327 H -2.42229955508196 -7.62751567898121 1.75012275051002 H -6.72968282432127 -6.20993122336393 3.52942231388127 H -5.23440149786492 -6.78741045936515 4.27068285924734 H -5.62129068451234 -5.70370428347347 1.44500600835062 H -5.22987107441095 -7.38431282992180 1.87070404378783 H -3.20817615853570 -3.62374065057630 -0.16270567711456 H -4.78802906707795 -3.99782275025759 0.52391163638806 H -2.14356461251976 -5.47349542277918 0.85725506432638 H -3.61010361619288 -6.08993826107052 0.05943573791032 C -3.88678041418539 -1.23915057625131 0.53917182910059 C -2.94567438344874 -1.90038669666731 1.57224879323037 C -2.94623921188360 -0.94442783742930 2.77213813215271 C -1.50596632061971 -1.95365727130931 0.98966284225736 C -0.50375261711749 -2.66009864664949 1.90436957325993 C 0.74339042723749 -3.17275136320506 1.17066002697630 C 0.47237551243658 -4.37023214334098 0.26016483766342 C 1.69217561460898 -4.65890580895479 -0.62488954777828 C 3.00349602850561 -4.34030409842005 0.10441203020231 C 2.84118572646451 -4.56143388939582 1.60444162605899 C 1.82496327101575 -3.57069567884136 2.18946392664698 C -5.92208976317118 -2.67715639168188 5.18610002951660 C -6.41355190355982 -3.98774929990888 4.56644573606015 C -7.06464682904819 -4.80308624550095 5.70495075520932 C -7.51320573294549 -3.66096862411462 3.52061919980999 C -7.03569147845123 -2.72912189608015 2.40870297159285 C -7.93893655229181 -2.69015841724842 1.16531924521660 C -9.39609510047843 -2.38085884865003 1.51111394300278 C -10.18976203329375 -2.04363849423670 0.24163550016032 C -9.69029935878055 -2.84754598508497 -0.96684592647425 C -9.12807362703763 -4.19045172575784 -0.51340592213700 C -7.86763405188524 -3.98279963600093 0.33540533812691 C -3.15216441738826 -5.26096187712990 6.74481436022248 C -2.26619307301168 -6.09923021648185 5.81523112265794 C -2.76674997954743 -7.55523757534559 5.94450734790977 C -0.79926409686090 -6.05710507171968 6.32261706424476 C -0.11983278213288 -4.69532111859064 6.18522855717991 C 1.38872373133413 -4.72069552242206 6.46587317161688 C 1.71195690738782 -5.18297647120670 7.88854246509682 C 3.21901052454527 -5.17392408610742 8.13748597547515 C 3.80352422882132 -3.78441353342230 7.90388552570875 C 3.48354392716805 -3.31003579371425 6.48956404022114 C 1.97629878506284 -3.32192262502121 6.25210946038828 H -4.90441892624616 -1.23151393458397 0.92127653927554 H -3.88234944275452 -1.73295507073149 -0.42728306792184 H -3.57560252035995 -0.21081911404994 0.37528676593694 H -2.74998817591859 0.06505540260216 2.41708976088001 H -2.17287619540824 -1.19079375976255 3.49314706018797 H -3.92057500213761 -0.94349353705140 3.25930315947914 H -1.53082312676653 -2.45878708053037 0.02384165245074 H -1.17315861503610 -0.93182390930324 0.80356111980297 H -1.00688962088446 -3.50588258161795 2.40910167936833 H -0.16914319542733 -1.96483293579621 2.67799033227320 H 1.12183741324527 -2.35414321892484 0.54996317486263 H -0.39271363454436 -4.19207195486836 -0.37923460910466 H 0.25860788275610 -5.24212339987810 0.88286756369081 H 1.67862029712729 -5.71061341303219 -0.91900361349035 H 1.63686777666787 -4.06575204462917 -1.53993592225639 H 3.29127490107185 -3.30169451742926 -0.07098551980221 H 3.80676374104531 -4.96887098118102 -0.28456614830975 H 2.51211648646668 -5.58879776106464 1.77387197496032 H 3.80340812299247 -4.44214464330386 2.10565529518348 H 1.34917546190781 -4.02627062141834 3.06148895680259 H 2.34283476756761 -2.67160888046949 2.52973881250837 H -5.33193797196519 -2.88236650611488 6.07729621560700 H -5.32827839155614 -2.11573730810176 4.46657479154500 H -6.77580157126374 -2.07163368675225 5.48026477421044 H -7.73319683375064 -4.15970119059808 6.27081238979215 H -6.30740432539744 -5.18583124751495 6.38471446562654 H -7.65041274090901 -5.63969633901388 5.33489303990140 H -8.34875650697718 -3.20297214524368 4.04986127594435 H -7.88317200365447 -4.58835515272248 3.08440805659989 H -6.97063059755872 -1.71260437495350 2.80025984980331 H -6.02900123343116 -3.03868098347505 2.10910671753585 H -7.57684326013764 -1.86597603771270 0.53973986035826 H -9.44731319184398 -1.53959077805602 2.20462346200440 H -9.84256484598661 -3.24415858793593 2.00558033898196 H -10.10673115594642 -0.97677175670461 0.02233697812508 H -11.24701920725102 -2.25592452964186 0.41569171479309 H -10.50738388864685 -2.99941337022662 -1.67489840994479 H -8.90686473156201 -2.29456740501561 -1.49023447452370 H -9.89275041715045 -4.71458119169121 0.06345759479395 H -8.89178951883323 -4.81085981397750 -1.38066679050792 H -6.99676620222395 -3.93309532565615 -0.32320399112174 H -7.74372872827202 -4.84674381968590 0.98997330716554 H -3.24997179741959 -5.76389423812548 7.70455475687394 H -2.73035767254719 -4.27695728260702 6.92430951267882 H -4.14158027364583 -5.15035114633238 6.30236669703072 H -2.21161339532212 -8.25024331427487 5.32140534246421 H -2.65146631951721 -7.88218648557941 6.97493683287011 H -3.82243991807863 -7.61428318217976 5.68892716177928 H -0.81146371506867 -6.35324108695986 7.37134751067644 H -0.20440698140024 -6.79674812118477 5.78295624970045 H -0.57861921628345 -3.98256885765809 6.87340415786696 H -0.26978237573986 -4.33264595620811 5.16107035568301 H 1.86921778841638 -5.41019939713721 5.76207319228904 H 1.22387614534883 -4.51739153782315 8.60485401123947 H 1.33433853208895 -6.19290154376946 8.05410204577037 H 3.42486107881995 -5.49567098501776 9.16124836308514 H 3.70219185751443 -5.88540594193153 7.46273509598877 H 4.88542746767750 -3.80458364826540 8.05568369574365 H 3.37935105111652 -3.08423218692533 8.62828960755572 H 3.87478938970570 -2.30119088560853 6.33770476141341 H 3.97241971483741 -3.96929650962492 5.76809559809771 H 1.76574261340889 -2.97975984849753 5.23657475826508 H 1.50161994302079 -2.62378871194467 6.94684442080910 N -2.82650822363284 -2.88253426915595 4.94892823732198 H -1.82707476255129 -2.70437167191835 5.06953000339473 H -3.29300172950213 -2.28295440447228 5.62493682056153 122 energy: -139.428891123138 gnorm: 0.001091709957 xtb: 6.5.1 (b24c23e) N -3.40214834507645 -3.26567654263612 1.90889800234640 C -3.70129889810609 -4.03923184393098 0.70965461029237 C -3.23306881661895 -5.47536058499365 0.87672397247720 N -3.67440550784129 -5.96661713331770 2.17739797443996 C -5.09069540138285 -6.33577380487770 2.16425328118987 C -5.64310037073281 -6.06013568240249 3.55669946741188 N -5.28301721089684 -4.70585343061221 3.95705241327850 Mo -3.42581464385121 -4.15963659598872 3.66426547981927 N -2.37077328265839 -5.60786527617978 4.43285916355219 C -1.70910800846950 -6.45414014847721 3.45921306159618 C -2.81964224419727 -7.07711071635259 2.60793451197762 H -1.09310230960478 -7.23430765329588 3.90972651302032 H -1.04822993520732 -5.84890298260096 2.82272872423139 H -3.39722221120945 -7.76197834740311 3.23193974469384 H -2.42178596647030 -7.63609159631127 1.75281278910357 H -6.72416231560298 -6.20843345987941 3.53553888869221 H -5.22703626332252 -6.78529991159488 4.27296022520917 H -5.61847096854039 -5.70086454767115 1.44867470906671 H -5.23310725247991 -7.38387963384226 1.87186177112449 H -3.19745632488122 -3.64097354004714 -0.17456448279686 H -4.78209525930892 -4.01189082301715 0.50327803170341 H -2.14010423929076 -5.48672492937062 0.85411599644045 H -3.60582665411165 -6.10781218947743 0.05884067007146 C -3.90030014895321 -1.25955183145932 0.51087291964110 C -2.95971802921517 -1.90642145116512 1.55369175816976 C -2.97725309964462 -0.94590586779728 2.74953083078983 C -1.51671475233592 -1.94956396471378 0.97838091736830 C -0.51269229499757 -2.64762260158988 1.89771049156155 C 0.73756123680776 -3.15746993700829 1.16722235565622 C 0.47167299500579 -4.35987257299614 0.26180679587071 C 1.69293569546783 -4.64614733627230 -0.62182790930566 C 3.00342390493562 -4.32148146443301 0.10640586610522 C 2.84058631255568 -4.53567756083158 1.60736297465063 C 1.82004733912401 -3.54697507694721 2.18841861617595 C -5.91043339242225 -2.67457411905974 5.18783906887628 C -6.40478805533663 -3.98381633952360 4.56806445818936 C -7.05846257943899 -4.79740054357097 5.70647087823391 C -7.50398548657044 -3.65565586951465 3.52264510352622 C -7.02809063206295 -2.72443533546265 2.40957838356022 C -7.93425539047752 -2.68712841564795 1.16838622179009 C -9.38922431116085 -2.37095083663071 1.51735402578799 C -10.18429430701773 -2.03637939078103 0.24834844233347 C -9.69552585703074 -2.85182100060285 -0.95678856449044 C -9.13484350863344 -4.19302974254570 -0.49647831251715 C -7.86990239608301 -3.98426134291705 0.34511235573149 C -3.14990541597469 -5.25414213980455 6.73850586247411 C -2.26571808561560 -6.09653077815241 5.81141348793127 C -2.77076949765342 -7.55086963401835 5.94242051831926 C -0.79978679167241 -6.05927601162404 6.32247727030717 C -0.11395567924780 -4.70092913770350 6.18456376977234 C 1.39292905654884 -4.73277498645236 6.47359526720051 C 1.70594083774975 -5.19420044190751 7.89893050812874 C 3.21138770991563 -5.19013768250346 8.15742105929999 C 3.80286435274066 -3.80351543510994 7.92461528173516 C 3.49405057733003 -3.33263884160052 6.50677397628130 C 1.98820197307397 -3.33723911161289 6.26034217756132 H -4.91986122420602 -1.25505167711217 0.88793365014417 H -3.88815729449029 -1.75991191969896 -0.45216172941527 H -3.59475002431726 -0.23048058080595 0.34153690648855 H -2.79356939083569 0.06451184258522 2.39080268438223 H -2.20372480838470 -1.17848445329179 3.47498161607499 H -3.95352700428756 -0.95618901924752 3.23256625652120 H -1.53329148201210 -2.45499025713660 0.01251032768222 H -1.19144775321700 -0.92518495010423 0.79356048433708 H -1.01228208423245 -3.49437334760845 2.40496665414488 H -0.18250871946597 -1.94778751602088 2.66911775092205 H 1.11296787662185 -2.33973384977691 0.54349350339932 H -0.39453370209283 -4.18879628094222 -0.37809600416866 H 0.26240873633097 -5.23012408179297 0.88834755148446 H 1.68296693412045 -5.69837444708618 -0.91394607076631 H 1.63580467386465 -4.05501226392013 -1.53796286944655 H 3.28928940534319 -3.28312044215906 -0.07388316432263 H 3.80828922307414 -4.95040008905021 -0.27902458958712 H 2.51629642629393 -5.56367067666714 1.78184953908489 H 3.80210423461143 -4.40960596370908 2.10812526393990 H 1.34560452519404 -4.00139657235395 3.06179692762213 H 2.33412747511965 -2.64464622369285 2.52574219025816 H -5.31563219031289 -2.88152948997376 6.07533292916942 H -5.32071402615084 -2.11087136653080 4.46709571162506 H -6.76287601246822 -2.07017552445989 5.48769996545625 H -7.72617050495219 -4.15185213401673 6.27099033625714 H -6.30336566823771 -5.18172090376613 6.38762077905661 H -7.64625827122474 -5.63248863688620 5.33613610257563 H -8.33964380306650 -3.19780366320694 4.05196930408865 H -7.87376578851544 -4.58332838293548 3.08662005829388 H -6.96274122082573 -1.70753536961410 2.80011937000441 H -6.02192996029497 -3.03438018583284 2.10818565262877 H -7.57134434196854 -1.86711242765546 0.53784581814377 H -9.43549946888067 -1.52655312800694 2.20736055196521 H -9.83770651580899 -3.23034721988306 2.01653527757565 H -10.09309109837328 -0.97174515053940 0.02177780665567 H -11.24265262900910 -2.23845228665914 0.42745819184924 H -10.51747352432372 -3.00654623476877 -1.65853745869589 H -8.91339900525792 -2.30587399757171 -1.48925883139279 H -9.89812837871109 -4.71159179656768 0.08711730194294 H -8.90416155896436 -4.81958223870104 -1.36076711166702 H -7.00206752078588 -3.94034606606460 -0.31750160206601 H -7.74524959751304 -4.84508237451036 1.00327360055848 H -3.24073342364561 -5.74974577821654 7.70283389272167 H -2.73056999112351 -4.26717572645456 6.90772512996747 H -4.14200247528353 -5.15083896089526 6.30065524256931 H -2.21270739582619 -8.24900058394386 5.32544708377407 H -2.66366135690191 -7.87475260414155 6.97471677072317 H -3.82480632574052 -7.60868155005745 5.67972508697981 H -0.81624035722184 -6.35335959989525 7.37177697514862 H -0.20658546999231 -6.80269389194744 5.78613961513927 H -0.57344324545103 -3.98399397367021 6.86781309855820 H -0.25688276587767 -4.34064997449016 5.15862978187934 H 1.87401843981143 -5.42585299631107 5.77371443562731 H 1.21587195806271 -4.52589689300720 8.61128397723938 H 1.32390406451722 -6.20259058840033 8.06371121355219 H 3.40927455431498 -5.51051819524634 9.18309902572418 H 3.69633832743144 -5.90489256011886 7.48744954137968 H 4.88349445546084 -3.82696790187610 8.08466829637884 H 3.37559192670770 -3.09975087188469 8.64367865348259 H 3.89170108969110 -2.32654424171941 6.35334159965025 H 3.98354251907316 -3.99724440979620 5.79059715990952 H 1.78499339218816 -2.99575363643998 5.24316684275681 H 1.51309900533781 -2.63570882589403 6.95134725293427 N -2.81380958779043 -2.87749778312516 4.93145174614530 H -1.81358398468978 -2.69839955149650 5.04466043750893 H -3.27671714035769 -2.27713137699417 5.60949013178589 122 energy: -139.428932356651 gnorm: 0.001001275971 xtb: 6.5.1 (b24c23e) N -3.40460295311810 -3.27383253491559 1.89551022167266 C -3.69753557570054 -4.05206626154872 0.69774453425655 C -3.23099317020993 -5.48753619060377 0.87251422378109 N -3.67281998136502 -5.97110000645111 2.17581886256729 C -5.09013150887641 -6.33600637986170 2.16603856792660 C -5.63778197956734 -6.05980848411887 3.56021466108600 N -5.27658608553787 -4.70506223998865 3.95819713013942 Mo -3.42089142129785 -4.15915717320558 3.65581023552444 N -2.36712811016989 -5.60626299124408 4.42854851578648 C -1.70746933983266 -6.45666255128760 3.45726608752637 C -2.81968552382660 -7.08166500857519 2.60954812387575 H -1.09097146069908 -7.23515004471323 3.90996207203494 H -1.04746769979560 -5.85390713751105 2.81741813714680 H -3.39768569581849 -7.76372202478496 3.23616618772561 H -2.42337670007204 -7.64418708243453 1.75596651353290 H -6.71883693372069 -6.20906015306712 3.54353367462289 H -5.21848490002835 -6.78408074723110 4.27546108572135 H -5.61751719988708 -5.69778880239670 1.45300249197035 H -5.23669631314912 -7.38326132201143 1.87248823817824 H -3.18755791876509 -3.65787086936715 -0.18486566870495 H -4.77706733048448 -4.02408459797432 0.48459055433207 H -2.13797013368674 -5.50031365594719 0.85021352977356 H -3.60441628321690 -6.12398958026443 0.05808051260499 C -3.91024171328004 -1.27572467043085 0.48593506581867 C -2.97138188359410 -1.91251168426437 1.53625299879988 C -3.00324537470945 -0.94676792409769 2.72753028521862 C -1.52491665123954 -1.94602509473534 0.96872644355421 C -0.52027333989993 -2.63676959882760 1.89288182602717 C 0.73278471562132 -3.14443221144084 1.16580344051762 C 0.47320967281766 -4.35219513719025 0.26569742105760 C 1.69483605611653 -4.63389588238214 -0.61853591831235 C 3.00382082790417 -4.30288285061757 0.11003536967290 C 2.84188646026772 -4.51209241595857 1.61179978853322 C 1.81713015442945 -3.52504911055416 2.18825926150314 C -5.90116965778013 -2.67302296184702 5.18968041664086 C -6.39730443506686 -3.98151752667259 4.56978012118141 C -7.05237013239068 -4.79349031132791 5.70864684032192 C -7.49695968908214 -3.65358356649595 3.52495084295154 C -7.02211268335339 -2.72222192032429 2.41149801397819 C -7.93076544501562 -2.68591098033613 1.17213555953237 C -9.38397223586394 -2.36338431736581 1.52280913325692 C -10.17984033021110 -2.02874739553235 0.25456914207012 C -9.70055145593023 -2.85480559250476 -0.94735523467691 C -9.14244291431365 -4.19528166860728 -0.48203772634357 C -7.87301557121583 -3.98543029440562 0.35236342652312 C -3.14765456642617 -5.24563763289948 6.73237239182545 C -2.26581424160930 -6.09309027761852 5.80801414423776 C -2.77493458653372 -7.54572618848030 5.94108812905828 C -0.80075875677569 -6.06040138711326 6.32146520539886 C -0.10887025606246 -4.70549966954345 6.18219135913553 C 1.39640976209526 -4.74402402738012 6.47851302703417 C 1.69983881218170 -5.20453493701777 7.90622703012137 C 3.20353688450424 -5.20536022715491 8.17443094574586 C 3.80069170959897 -3.82113181227602 7.94226646396913 C 3.50413963098326 -3.35399489057125 6.52068471835191 C 1.99987181319931 -3.35196694554693 6.26570870779163 H -4.93197243789733 -1.27583760775450 0.85704553488822 H -3.88951448750398 -1.78015581328783 -0.47463819664658 H -3.61002227135108 -0.24558384136894 0.31334340251835 H -2.83053073643582 0.06436572735761 2.36532043406067 H -2.22924247970582 -1.16730418824391 3.45616663239945 H -3.98064308714761 -0.96675514789970 3.20778988443147 H -1.53370192375364 -2.45223310500716 0.00319739641672 H -1.20567672488584 -0.91964943451280 0.78448450679890 H -1.01717184998310 -3.48417513676019 2.40223677235837 H -0.19425502786615 -1.93281731656923 2.66233044990153 H 1.10500918245894 -2.32787648461139 0.53865732066668 H -0.39491645488925 -4.18939586010737 -0.37370335127323 H 0.27020986623025 -5.22113891603632 0.89613992047972 H 1.68929519175688 -5.68626560183605 -0.91039318758360 H 1.63460919817382 -4.04306647659293 -1.53477416151191 H 3.28709764707812 -3.26446405884147 -0.07405090314584 H 3.81058360950901 -4.93099178599031 -0.27257796546324 H 2.52135553246651 -5.54056606915012 1.79005826222566 H 3.80271585992883 -4.38047240611784 2.11253767632064 H 1.34466454268967 -3.97795576213106 3.06347004757947 H 2.32733198407955 -2.61907197239649 2.52179102348362 H -5.30326400311663 -2.88083033951842 6.07489195378563 H -5.31390957005423 -2.10842181760588 4.46787215296597 H -6.75275599475812 -2.06900703319993 5.49288404888253 H -7.71852667474338 -4.14617845665365 6.27309691427900 H -6.29842825291423 -5.17954253510278 6.38999632885323 H -7.64242715293671 -5.62713720981899 5.33864599553218 H -8.33337579550701 -3.19660779610244 4.05430445353028 H -7.86574692158118 -4.58194849745508 3.08893364869083 H -6.95668531065005 -1.70504676643623 2.80182191512052 H -6.01609673927892 -3.03205866421936 2.10849061256507 H -7.56673507445149 -1.86916230844381 0.53814556844966 H -9.42600377854070 -1.51702952351414 2.21071184763441 H -9.83484011698441 -3.21973253266359 2.02504981772437 H -10.07997749246628 -0.96612438636004 0.02235854630430 H -11.23938648438818 -2.22070067400010 0.43754581167990 H -10.52689217844005 -3.01130887335720 -1.64338517470346 H -8.91934715226520 -2.31566304066452 -1.48799556037065 H -9.90470028348079 -4.70799469153880 0.10808733516926 H -8.91779381115071 -4.82768812325097 -1.34376257264696 H -7.00830784097049 -3.94560771922309 -0.31438874836124 H -7.74704391682841 -4.84417150132905 1.01259301502155 H -3.23046524173628 -5.73253506256779 7.70183934693705 H -2.73116527822871 -4.25542795529282 6.88937288371460 H -4.14279320549479 -5.15045934131566 6.29985587242502 H -2.21376049881864 -8.24710831797794 5.33055462135746 H -2.67534087050940 -7.86565591661988 6.97533532658759 H -3.82733515006425 -7.60310081192980 5.67192396708865 H -0.82079957758078 -6.35192499336932 7.37140418721561 H -0.20945931738167 -6.80762652451081 5.78834008315953 H -0.56817562189983 -3.98448269898925 6.86110608603093 H -0.24590938884670 -4.34765909160786 5.15470969959571 H 1.87745895994588 -5.44078038201341 5.78225740824065 H 1.20745191759862 -4.53392760235570 8.61480438289833 H 1.31375855555542 -6.21157162924604 8.06980288008435 H 3.39374521344163 -5.52457802155191 9.20188684701582 H 3.69028637292162 -5.92297312094820 7.50885261834688 H 4.87980498402966 -3.84708135215170 8.11109605005393 H 3.36955158901662 -3.11398813681268 8.65562975846331 H 3.90833231409995 -2.35075761940335 6.36540121511316 H 3.99414368768787 -4.02443097508714 5.81030532458139 H 1.80427522616807 -3.01210619210208 5.24664459446548 H 1.52407729296613 -2.64635615205704 6.95209636697759 N -2.80335796869971 -2.87187509568047 4.91563846239293 H -1.80243258525018 -2.69257165089467 5.02275301471622 H -3.26302735697755 -2.27030265617802 5.59492845994670 122 energy: -139.428960702789 gnorm: 0.000728078883 xtb: 6.5.1 (b24c23e) N -3.40616114844585 -3.27873565301437 1.88581898134732 C -3.69526660644496 -4.05998964342943 0.68914587980416 C -3.23106006993341 -5.49561031647721 0.86929648432433 N -3.67271774383153 -5.97397533764284 2.17451233228693 C -5.09052696092706 -6.33647216320784 2.16729634425435 C -5.63428392802298 -6.06030478604001 3.56289604611236 N -5.27261065057424 -4.70519154390753 3.95933820379754 Mo -3.41840897160774 -4.15853399432463 3.64917325455323 N -2.36529926873402 -5.60439169778516 4.42498970185876 C -1.70729428831895 -6.45805766181681 3.45553354260122 C -2.82097772721084 -7.08458602089903 2.61104988729701 H -1.09051414757329 -7.23538980282330 3.90978927064129 H -1.04807161998833 -5.85727219220652 2.81305855366199 H -3.39924679486590 -7.76363780735038 3.24050345523318 H -2.42654869030092 -7.65056337096791 1.75900649662982 H -6.71522042997313 -6.21048258544437 3.55002771506135 H -5.21213308552869 -6.78390884375547 4.27708306120056 H -5.61816407387221 -5.69619755008401 1.45625131465645 H -5.23953912442065 -7.38318233250741 1.87294327014177 H -3.18115249085513 -3.66853190747784 -0.19229781127251 H -4.77387824245420 -4.03133622405024 0.47159207724030 H -2.13805935443668 -5.51061135393353 0.84635975157301 H -3.60619374713838 -6.13442953810910 0.05755425752750 C -3.91516155421384 -1.28763678037595 0.46709153483154 C -2.97827198610269 -1.91640893213091 1.52402494243822 C -3.01981538214756 -0.94715817631981 2.71213425051165 C -1.52961888642626 -1.94484960472495 0.96213310301036 C -0.52518173929678 -2.63020787244773 1.89030697604530 C 0.73013654281515 -3.13585011027161 1.16598293179283 C 0.47548100453178 -4.34798906186586 0.27046834025512 C 1.69784803104913 -4.62410425870017 -0.61430488548799 C 3.00584386834037 -4.28787515779452 0.11388479476418 C 2.84346416387362 -4.49385825871001 1.61610593708964 C 1.81593899911515 -3.50821935006353 2.18986142837605 C -5.89563472189936 -2.67273004134368 5.19087968981871 C -6.39259143784464 -3.98131696759335 4.57178290779003 C -7.04718952055281 -4.79260895054954 5.71148049557842 C -7.49282550542166 -3.65421509501884 3.52728566056163 C -7.01924604398993 -2.72309531986347 2.41305819861822 C -7.92919918411546 -2.68592497129379 1.17471934066207 C -9.38090375012081 -2.35898083543028 1.52734464202981 C -10.17665999389525 -2.02302720469513 0.25950219994596 C -9.70520670731947 -2.85566703347328 -0.94102971883803 C -9.14937835312372 -4.19578509810865 -0.47222461929671 C -7.87604269381333 -3.98661607836655 0.35629877596435 C -3.14549942879794 -5.23728985062694 6.72750786337201 C -2.26605220031276 -6.08923504448179 5.80536255642184 C -2.77838220764095 -7.54036431083365 5.94144588862638 C -0.80153667637873 -6.06017047252535 6.31982569225450 C -0.10496266514696 -4.70800342239118 6.17910124490418 C 1.39908376908571 -4.75230413142621 6.48037151049073 C 1.69461609107302 -5.21233056546266 7.90992972184132 C 3.19682429998018 -5.21671103310425 8.18546888190034 C 3.79881608915496 -3.83442237731187 7.95416362532991 C 3.51185753368049 -3.37070985774214 6.52972110159729 C 2.00901795869369 -3.36322862202326 6.26698609434469 H -4.93880898866930 -1.29190557037180 0.83263804622217 H -3.88642557938303 -1.79435562975771 -0.49219037959113 H -3.61926951773992 -0.25640633515794 0.29354008292982 H -2.85375364883404 0.06391434510322 2.34712044588206 H -2.24590085744786 -1.15969605195077 3.44303206401762 H -3.99801158284685 -0.97288058835968 3.19022182595903 H -1.53258501655087 -2.45209897413388 -0.00289706106614 H -1.21423080305917 -0.91729337422908 0.77792326297566 H -1.02063075974329 -3.47795012684684 2.40085703341874 H -0.20268841550375 -1.92317236296333 2.65849538301837 H 1.09930374888843 -2.32029454147371 0.53569935640668 H -0.39482534844906 -4.19284731017108 -0.36788682148049 H 0.27908314155940 -5.21607716032102 0.90416145825759 H 1.69654748479399 -5.67615068985773 -0.90727223725317 H 1.63463103094721 -4.03256109391930 -1.52992906884749 H 3.28591366172083 -3.24900072594934 -0.07222297623165 H 3.81471907318108 -4.91422634532951 -0.26700306322796 H 2.52568180253130 -5.52277603761760 1.79676723355477 H 3.80362147543506 -4.35848210688556 2.11708930355551 H 1.34532107731301 -3.95937848882260 3.06700446088260 H 2.32318550036158 -2.59916931696857 2.51951192370589 H -5.29696037661117 -2.88051869128814 6.07557013669375 H -5.30870673379712 -2.10847125155750 4.46864577966873 H -6.74681305502604 -2.06840595764562 5.49457140459299 H -7.71133775675991 -4.14418860958617 6.27693288414863 H -6.29312103517112 -5.18009363422466 6.39180630667230 H -7.63934551503207 -5.62513242953631 5.34236302347319 H -8.32957957566364 -3.19782518020438 4.05684395984305 H -7.86087209014243 -4.58324624161515 3.09183288898243 H -6.95304713919009 -1.70585593172180 2.80335879731173 H -6.01354517382304 -3.03327318840209 2.10882011339977 H -7.56386360083460 -1.87079796853563 0.53938816174033 H -9.41972526546924 -1.51192082229541 2.21466362515924 H -9.83392415363916 -3.21360018336044 2.03064240053295 H -10.06996401316563 -0.96186226765180 0.02409493731826 H -11.23705321471400 -2.20715422989409 0.44503325005382 H -10.53478689817498 -3.01246790781718 -1.63307762634726 H -8.92446749598176 -2.32144609137537 -1.48699289165199 H -9.91078204624049 -4.70387480396077 0.12283462750799 H -8.92993886472419 -4.83235600427296 -1.33217127504526 H -7.01453790477970 -3.94832721162057 -0.31460912707129 H -7.74795190326876 -4.84495352172372 1.01660908870615 H -3.22193067723462 -5.71658363735426 7.70111823969295 H -2.73083374774333 -4.24482867239996 6.87403445640899 H -4.14294747156926 -5.14820760850204 6.29942926666724 H -2.21543621206775 -8.24456137914088 5.33572636872602 H -2.68341953724342 -7.85654234438457 6.97725279300125 H -3.82971535615047 -7.59775628503901 5.66854560237425 H -0.82370975837390 -6.34976104559643 7.37020049579001 H -0.21209874003862 -6.81030590554467 5.78881197153915 H -0.56357833380990 -3.98375322660135 6.85497738741850 H -0.23783683546521 -4.35203293808135 5.15047379765172 H 1.87956303983387 -5.45235674062560 5.78697320740196 H 1.20044642911380 -4.53979456627199 8.61544740089428 H 1.30521082542734 -6.21827622743978 8.07251988568297 H 3.38098582864398 -5.53487865743358 9.21429485145449 H 3.68504470625898 -5.93661631810277 7.52342036553632 H 4.87664733872146 -3.86215273492668 8.13026538048776 H 3.36421133128670 -3.12466149548732 8.66274378394152 H 3.92112177572361 -2.36981137156284 6.37318688742234 H 4.00248104002290 -4.04561229654380 5.82409508768296 H 1.81991891865327 -3.02531147058168 5.24604793224338 H 1.53255628452532 -2.65397915883376 6.94912097885190 N -2.79659758252330 -2.86762010527699 4.90353884355903 H -1.79530671741550 -2.68828023689471 5.00657529155502 H -3.25383776231928 -2.26378978877832 5.58227180715949 122 energy: -139.428984790401 gnorm: 0.000593224539 xtb: 6.5.1 (b24c23e) N -3.40774697628599 -3.28271802634094 1.87766138594679 C -3.69412578690885 -4.06666278151652 0.68214783163951 C -3.23215810284269 -5.50262993626637 0.86646544142077 N -3.67364210748234 -5.97672427157069 2.17323898228079 C -5.09169037968147 -6.33787469225995 2.16775619026149 C -5.63276614002189 -6.06122665728498 3.56416058451511 N -5.26996526955002 -4.70603382293098 3.95944861503667 Mo -3.41713816159844 -4.15824951531269 3.64329002840659 N -2.36453134024827 -5.60289281700514 4.42157780657597 C -1.70799765727944 -6.45953741467395 3.45380865017376 C -2.82317682137229 -7.08728940520037 2.61244685113624 H -1.09138483552960 -7.23616382185191 3.90947555462552 H -1.04914578094069 -5.86068869400480 2.80920490760597 H -3.40186256621018 -7.76301136598642 3.24494155845988 H -2.43080905284751 -7.65682159296831 1.76197332101247 H -6.71369878855527 -6.21126218768921 3.55379702956854 H -5.20923536351541 -6.78461912119827 4.27769195013632 H -5.61964222398264 -5.69681118868926 1.45764670296647 H -5.24203050030958 -7.38445431546444 1.87350498219851 H -3.17676322734401 -3.67774490568978 -0.19851680691725 H -4.77204521100598 -4.03740876384359 0.46128944494713 H -2.13920095453840 -5.51999876436654 0.84257989572852 H -3.60937143750658 -6.14291282585090 0.05685369108457 C -3.91847535844793 -1.29720132134296 0.45123120748645 C -2.98356199136577 -1.91975655613417 1.51357885788712 C -3.03255177190626 -0.94742407908774 2.69897547290199 C -1.53311380282214 -1.94472560977861 0.95664326414006 C -0.52938160448485 -2.62534683927276 1.88898012439883 C 0.72821326360684 -3.12856104341633 1.16738707875109 C 0.47905752296700 -4.34501003037873 0.27621619982424 C 1.70190289253318 -4.61560082314846 -0.60936758365205 C 3.00851227236124 -4.27340751298270 0.11889778971037 C 2.84636975189684 -4.47720786277468 1.62150099990314 C 1.81579667381771 -3.49299200243779 2.19202789540760 C -5.89123742063779 -2.67325154368419 5.19120882347517 C -6.38899927013725 -3.98216355778444 4.57327074913766 C -7.04193315127033 -4.79300576131364 5.71428330811958 C -7.49044455672727 -3.65566114519622 3.52963732535468 C -7.01648610522432 -2.72616882503915 2.41419760722868 C -7.92827420006944 -2.68696008814860 1.17719929301298 C -9.37861163044581 -2.35621327537153 1.53143423443946 C -10.17493293169416 -2.01768185926222 0.26465518074964 C -9.71036368325327 -2.85529712995375 -0.93521530777711 C -9.15693763838201 -4.19574143722809 -0.46460078750772 C -7.87947834830889 -3.98717532022626 0.35756003774887 C -3.14292503644984 -5.22840120447572 6.72319693141868 C -2.26640090400788 -6.08519272229267 5.80298244026669 C -2.78193981510850 -7.53473289215379 5.94307198373930 C -0.80213164555972 -6.05934699707560 6.31742182252404 C -0.10155945461723 -4.70952821446458 6.17568008648752 C 1.40137108135265 -4.75913105432567 6.48104819298962 C 1.69011159279118 -5.21812726575000 7.91229824024925 C 3.19096882204302 -5.22679986224202 8.19456073035104 C 3.79748301854216 -3.84648834733368 7.96338189389123 C 3.51919871812734 -3.38547672410271 6.53647921975061 C 2.01769425566788 -3.37306881972780 6.26692155326224 H -4.94388319264691 -1.30627666816554 0.81136366980067 H -3.88197743316405 -1.80449994441890 -0.50745882626212 H -3.62683768778394 -0.26469023600573 0.27811639640494 H -2.87096914451215 0.06333381362657 2.33119506721999 H -2.25904605224596 -1.15357613769485 3.43219624944471 H -4.01172496869512 -0.97681949472471 3.17485867684547 H -1.53130831049194 -2.45342281247383 -0.00765118039589 H -1.22044940714362 -0.91640193884254 0.77190679352066 H -1.02340146436192 -3.47383980705903 2.39991999175569 H -0.21026667541454 -1.91618631272101 2.65656163896249 H 1.09402490042024 -2.31382907967751 0.53406087804123 H -0.39320299886562 -4.19730935344537 -0.36114108786661 H 0.28904917635454 -5.21237310466970 0.91276438837130 H 1.70524727076298 -5.66742627973010 -0.90321675194373 H 1.63534913614281 -4.02349226563668 -1.52448672953492 H 3.28470124037983 -3.23378343923502 -0.06883018179500 H 3.81987589827106 -4.89732931226349 -0.26045634500613 H 2.53078863690077 -5.50646290060287 1.80403468531356 H 3.80586747548029 -4.33859410371942 2.12291953773396 H 1.34737870629196 -3.94223609294252 3.07133704169519 H 2.32010338233692 -2.58082061241212 2.51744263531999 H -5.29306270591379 -2.88023877328313 6.07641519904958 H -5.30337650933648 -2.11047287382348 4.46867569461116 H -6.74200977518498 -2.06780549608198 5.49357835287104 H -7.70357321708418 -4.14390078248402 6.28176436254954 H -6.28668025113413 -5.18185655133339 6.39249336520411 H -7.63618093832890 -5.62459936711054 5.34651425194405 H -8.32634677934478 -3.19806631528964 4.05963017702316 H -7.85964111781656 -4.58490509166278 3.09546744601951 H -6.94739871328855 -1.70893675157850 2.80420720239003 H -6.01182586630004 -3.03880789851969 2.10850402930006 H -7.56190324679846 -1.87240755266876 0.54178812063274 H -9.41423307518973 -1.50917694575712 2.21897585154192 H -9.83339158498278 -3.20960886979810 2.03517869419947 H -10.06211403025406 -0.95756757218148 0.02747372318688 H -11.23603381382569 -2.19513899609382 0.45248553176357 H -10.54295312047750 -3.01146072668711 -1.62377561249477 H -8.92994052522158 -2.32517060585278 -1.48558726701245 H -9.91718098412724 -4.69943810877633 0.13551833318791 H -8.94309701053825 -4.83593720683361 -1.32326938803970 H -7.02186279637852 -3.94813857092457 -0.31817265575376 H -7.74743284936601 -4.84606375823776 1.01627005662484 H -3.21505978092865 -5.70114686274818 7.70008980367699 H -2.72853617623154 -4.23480218919130 6.86111177166179 H -4.14189474525365 -5.14291147056976 6.29842638353164 H -2.21895831893830 -8.24177083555169 5.34066871174180 H -2.68911259046541 -7.84739065032722 6.98012816557808 H -3.83290056488497 -7.59158933742994 5.66890443186101 H -0.82541684665015 -6.34768780391053 7.36805606726188 H -0.21447803278494 -6.81159547430611 5.78754317716879 H -0.55919320723983 -3.98276767036365 6.84943476138127 H -0.23110949352589 -4.35472649654542 5.14630365005898 H 1.88088004281315 -5.46242419386674 5.79024815558277 H 1.19472728677395 -4.54356916603497 8.61504126103309 H 1.29737200283341 -6.22284307057120 8.07432923252124 H 3.36974594610356 -5.54398095139897 9.22463075752609 H 3.67988178797823 -5.94912404572746 7.53566299992605 H 4.87415705328185 -3.87649871012899 8.14551648056561 H 3.36061652422367 -3.13406091835234 8.66782792566169 H 3.93302417193288 -2.38663422871976 6.37912207805315 H 4.01036506668924 -4.06424631577979 5.83501947730391 H 1.83447251710573 -3.03754068815279 5.24427009173106 H 1.54071876519489 -2.66007332249676 6.94470579807352 N -2.79146124628937 -2.86401183986643 4.89247979874520 H -1.78960187697465 -2.68611776997712 4.99294547371470 H -3.24639772119161 -2.25650847431959 5.56925806473188 122 energy: -139.429005102875 gnorm: 0.000688071655 xtb: 6.5.1 (b24c23e) N -3.40973293526954 -3.28684437218433 1.87040082680639 C -3.69421986527062 -4.07307119928307 0.67600582602375 C -3.23373385641554 -5.50921433491408 0.86361796026842 N -3.67530148937977 -5.97973523038373 2.17162723265851 C -5.09350053249415 -6.34017849676956 2.16733550531891 C -5.63302579146437 -6.06228038017526 3.56399953390490 N -5.26844651435383 -4.70729046495488 3.95843897750389 Mo -3.41654462588653 -4.15896876241565 3.63794779431109 N -2.36427756807106 -5.60217656703285 4.41875963572957 C -1.70937706475804 -6.46190773653105 3.45258874346034 C -2.82582276881137 -7.09003740618150 2.61345944447353 H -1.09365433125414 -7.23838864337657 3.90971785313391 H -1.05016131370111 -5.86536247615584 2.80626076466412 H -3.40498550638648 -7.76277380727122 3.24852243721223 H -2.43519466843653 -7.66275544529190 1.76446457653443 H -6.71410375015730 -6.21099482988323 3.55474903614974 H -5.20973676307097 -6.78572584837582 4.27759291401223 H -5.62165909873562 -5.69953253514188 1.45699809770767 H -5.24437813740392 -7.38700679124697 1.87419150091996 H -3.17453205465297 -3.68634834365624 -0.20423028842077 H -4.77164318063015 -4.04341071480825 0.45271616215962 H -2.14079211912023 -5.52847213735518 0.83908593702527 H -3.61262562658558 -6.15061373222183 0.05565214911556 C -3.92103754133927 -1.30553909030887 0.43718418657763 C -2.98832259802270 -1.92339529880150 1.50408255625029 C -3.04393692184200 -0.94758193428014 2.68649676991562 C -1.53603522902560 -1.94547209926122 0.95195873526361 C -0.53306639627167 -2.62195761988984 1.88783330957824 C 0.72727318223896 -3.12191647469442 1.16902607385851 C 0.48355518724571 -4.34237396206958 0.28191814464735 C 1.70746592082494 -4.60788653208557 -0.60359035463917 C 3.01255612804672 -4.25936468609423 0.12452791096863 C 2.85003182149838 -4.46023549201027 1.62756262574926 C 1.81635044622825 -3.47764709717277 2.19508213594549 C -5.88754944767926 -2.67414189687179 5.19095524821253 C -6.38617227827385 -3.98333589324636 4.57414537586908 C -7.03689456632249 -4.79407919766734 5.71651281068450 C -7.48905567602356 -3.65671520307413 3.53176522529912 C -7.01446880505215 -2.73015234262112 2.41417972322444 C -7.92807185347107 -2.68778126383592 1.17857800800676 C -9.37681622162283 -2.35373311885183 1.53607743980363 C -10.17407129683891 -2.01270893505797 0.27056404797262 C -9.71673477156877 -2.85409888937416 -0.92960350678855 C -9.16508121817348 -4.19488382279891 -0.45794290855144 C -7.88306066523201 -3.98736313244540 0.35722080541083 C -3.13979613914713 -5.21909910759958 6.71965522683547 C -2.26654891932697 -6.08117500472823 5.80135474606420 C -2.78564938622128 -7.52896581528183 5.94573489163092 C -0.80208220925458 -6.05832860258646 6.31459925544590 C -0.09786914013524 -4.71054854906135 6.17232109141288 C 1.40407447380204 -4.76522875380156 6.48153913868431 C 1.68599830863613 -5.22303929820422 7.91459633020582 C 3.18562413553900 -5.23587346992588 8.20237133094949 C 3.79764181546897 -3.85794422185757 7.97113361684049 C 3.52671651759311 -3.39927401355324 6.54214858205274 C 2.02644743319925 -3.38209197620459 6.26620973533994 H -4.94829742928048 -1.31989248462250 0.79165051856318 H -3.87638136629631 -1.81280917377654 -0.52126276984222 H -3.63379694547039 -0.27153817245082 0.26526691534167 H -2.88457863952652 0.06271780462612 2.31666773647637 H -2.27181223053542 -1.14922709463924 3.42217033315631 H -4.02428310932874 -0.97903771035335 3.15980866959467 H -1.53004471299290 -2.45605704919971 -0.01132013976258 H -1.22529953543113 -0.91669767088331 0.76617773330680 H -1.02579274424439 -3.47155467905073 2.39834067797270 H -0.21815124652240 -1.91082394960410 2.65537628892890 H 1.08951040027905 -2.30775019033458 0.53289966738551 H -0.39015201612094 -4.20163985280488 -0.35500141406299 H 0.29901727318680 -5.20874331725447 0.92135062836228 H 1.71553247776357 -5.65970838235081 -0.89725916074501 H 1.63803527882157 -4.01617275950337 -1.51878259912716 H 3.28461335041357 -3.21903883696402 -0.06508676363396 H 3.82657052685823 -4.88076129470079 -0.25312678894574 H 2.53734960936500 -5.49007622165058 1.81222653665806 H 3.80874511952215 -4.31769013411865 2.12946403974974 H 1.34977323723038 -3.92522039949869 3.07624044542043 H 2.31741244459293 -2.56226483733550 2.51663118894354 H -5.28993729375475 -2.88043228599732 6.07688058842641 H -5.29854818809124 -2.11312155210307 4.46792465219700 H -6.73794930203551 -2.06727256719000 5.49192063977857 H -7.69583540467740 -4.14453927378726 6.28649252012214 H -6.28006474223652 -5.18434817030135 6.39213996044099 H -7.63323209942928 -5.62476839836469 5.35016214340409 H -8.32289891627866 -3.19633161971897 4.06245828674056 H -7.86116412855232 -4.58574281293887 3.09970273420124 H -6.94050558621988 -1.71291297886882 2.80324799643343 H -6.01164106952475 -3.04692795083920 2.10672586423203 H -7.56069576540744 -1.87327201571126 0.54349731474307 H -9.40907022329063 -1.50672920816434 2.22393503583029 H -9.83312900881835 -3.20608834182005 2.04033008734695 H -10.05635630956572 -0.95343915726153 0.03207315012403 H -11.23556313349455 -2.18453654249099 0.46116532740265 H -10.55235228830347 -3.00938850642428 -1.61473469125312 H -8.93694512790869 -2.32731882882820 -1.48408328295038 H -9.92386923776105 -4.69462876595894 0.14720036166952 H -8.95709253290498 -4.83812082064933 -1.31573006827049 H -7.02957731107104 -3.94689907722456 -0.32398818773516 H -7.74652771661532 -4.84739127811985 1.01392787410593 H -3.20966877971999 -5.68668698091957 7.69905547777255 H -2.72407340559970 -4.22526280497149 6.85100716196576 H -4.13965081900268 -5.13479490340182 6.29700434210130 H -2.22449518633877 -8.23903160554739 5.34512772832671 H -2.69273787856169 -7.83852639772133 6.98371357959131 H -3.83692722926367 -7.58448627727812 5.67263970426676 H -0.82586563036765 -6.34603576198385 7.36534172166822 H -0.21637877510417 -6.81234080278436 5.78505032705452 H -0.55470697102260 -3.98151944012365 6.84423874560487 H -0.22423795283033 -4.35661109760072 5.14223514169709 H 1.88266079307671 -5.47187105725200 5.79345713873865 H 1.19011231828102 -4.54570275299079 8.61436786240424 H 1.28944622671295 -6.22628499976528 8.07673109996443 H 3.35931674698137 -5.55169629888564 9.23372367752035 H 3.67475762299845 -5.96109451741354 7.54676084659090 H 4.87339374166716 -3.89081862401272 8.15793843651325 H 3.35979908759485 -3.14276654448514 8.67214746835393 H 3.94461516224722 -2.40223050542391 6.38442218830800 H 4.01836231308232 -4.08121413822733 5.84415518846043 H 1.84906003925075 -3.04885292476012 5.24177026289643 H 1.54917161340404 -2.66534077530718 6.93977479800532 N -2.78749865375511 -2.86176501982469 4.88229102148235 H -1.78516689267613 -2.68605089179599 4.98154572860836 H -3.24053537464099 -2.25013726736332 5.55620537197726 122 energy: -139.429022756502 gnorm: 0.000697584255 xtb: 6.5.1 (b24c23e) N -3.41174740712820 -3.29038479555054 1.86406237052068 C -3.69469701702467 -4.07865361896037 0.67071103810795 C -3.23508052135060 -5.51485209340833 0.86138100508425 N -3.67693644311809 -5.98298372942554 2.17015640945168 C -5.09522398383382 -6.34307332228184 2.16618213297577 C -5.63472856133111 -6.06323070788380 3.56240838825948 N -5.26801988797059 -4.70865778633280 3.95634573182829 Mo -3.41676911565559 -4.16004801222750 3.63284705071274 N -2.36473563929874 -5.60199123456580 4.41603308703454 C -1.71112969380327 -6.46474424947387 3.45162835991081 C -2.82852614197368 -7.09322311690565 2.61413728528046 H -1.09688735108992 -7.24146219175271 3.91036001838973 H -1.05084980785594 -5.87058042239556 2.80420515208292 H -3.40832353126762 -7.76372480756047 3.25094982103855 H -2.43887587147480 -7.66826336079349 1.76635153076440 H -6.71607534284544 -6.20976475631835 3.55266029955710 H -5.21325223049401 -6.78712523816436 4.27662078788141 H -5.62320564689226 -5.70354629721571 1.45471217394796 H -5.24620756006157 -7.39035264477338 1.87466180166437 H -3.17368061268483 -3.69355932313331 -0.20946494907402 H -4.77180713708994 -4.04917553996330 0.44582644783273 H -2.14214495181885 -5.53504172389498 0.83683465138784 H -3.61448368376582 -6.15742259913289 0.05454719176088 C -3.92340650034086 -1.31385571879897 0.42460096139877 C -2.99247247275000 -1.92667155821707 1.49618027863405 C -3.05360764068016 -0.94863358559160 2.67651653130309 C -1.53903534658506 -1.94721961123441 0.94756723400011 C -0.53658289487488 -2.61948156667425 1.88700338661977 C 0.72669314269031 -3.11550191878184 1.17070905946931 C 0.48897238717914 -4.33979563541184 0.28721264833916 C 1.71407242564560 -4.60190483243255 -0.59754980923500 C 3.01737437848066 -4.24635320254674 0.13057746845005 C 2.85486856907246 -4.44392533024092 1.63407200585312 C 1.81712531213304 -3.46342091383920 2.19783283363767 C -5.88429245484018 -2.67507479337374 5.18974708174344 C -6.38427291939741 -3.98429527676886 4.57392861855073 C -7.03318215006778 -4.79496548196632 5.71736195442403 C -7.48836933825060 -3.65670067828028 3.53299132297833 C -7.01188003714170 -2.73359213396965 2.41339094546493 C -7.92824783755417 -2.68820146175820 1.17991640865689 C -9.37560541130205 -2.35172068921494 1.54026508792294 C -10.17524847124898 -2.00825087165459 0.27693802970922 C -9.72424674016060 -2.85243951312320 -0.92373169183743 C -9.17341591784919 -4.19367271672550 -0.45229345979592 C -7.88719525670106 -3.98650280331245 0.35610038676777 C -3.13640539897686 -5.21089505071054 6.71702160356910 C -2.26659996128044 -6.07754685772362 5.79983959907526 C -2.78943594788564 -7.52353722525114 5.94885638119542 C -0.80180844333693 -6.05757590052664 6.31189983364831 C -0.09431486414530 -4.71154128227668 6.16935944586717 C 1.40676300843466 -4.77030985521331 6.48221973567425 C 1.68338101465123 -5.22605349668316 7.91693152743253 C 3.18204376639340 -5.24374271931125 8.20947291013284 C 3.79915066778280 -3.86834527479849 7.97714096688871 C 3.53395844935185 -3.41120698079388 6.54656726238261 C 2.03463511535701 -3.38984033101250 6.26590361097922 H -4.95211409791629 -1.33326836379791 0.77425003851036 H -3.87160632426778 -1.82064017254484 -0.53380934729005 H -3.64052170284414 -0.27842263938729 0.25423672415685 H -2.89454239989931 0.06101319013940 2.30484432165055 H -2.28383577015396 -1.14724429889416 3.41550040439285 H -4.03568595376051 -0.98044737485152 3.14618778521607 H -1.52981755275316 -2.45994155783046 -0.01461163729004 H -1.22995428727166 -0.91818490400508 0.76035555520176 H -1.02756150823645 -3.47070700139022 2.39655822286267 H -0.22598538077397 -1.90685453442387 2.65494152436690 H 1.08549199687782 -2.30160160256902 0.53228644274809 H -0.38540737654061 -4.20499783542741 -0.35002178042497 H 0.30838378762639 -5.20511590230823 0.92914522428203 H 1.72670431181373 -5.65416599620599 -0.88954602332321 H 1.64228074686703 -4.01188163868427 -1.51366192098970 H 3.28550917573060 -3.20547065669999 -0.06159587468248 H 3.83401623752139 -4.86557265131546 -0.24488389597980 H 2.54548479635511 -5.47430658989130 1.82135775097900 H 3.81277279193682 -4.29676339368047 2.13628382848288 H 1.35226937832792 -3.90969809083108 3.08053605131458 H 2.31460061830502 -2.54491473500455 2.51603085019222 H -5.28743688203451 -2.88071494832258 6.07631936513084 H -5.29420730229245 -2.11567082395102 4.46638986704939 H -6.73413764356407 -2.06682045245918 5.48938300160858 H -7.68966937450125 -4.14505509472465 6.28963915477898 H -6.27490910140289 -5.18658829355542 6.39059309502166 H -7.63135470442084 -5.62482312265586 5.35218423616834 H -8.31950863252206 -3.19254889285517 4.06449442628869 H -7.86441664044720 -4.58511099755408 3.10317548995074 H -6.93219853245625 -1.71637276323601 2.80123520296331 H -6.01134052077136 -3.05552090581268 2.10391409604855 H -7.56088667650683 -1.87335287153319 0.54527612483130 H -9.40448457734494 -1.50495946305966 2.22852152415883 H -9.83249392688074 -3.20325929119160 2.04527267013140 H -10.05377194605957 -0.94959942492804 0.03754674974444 H -11.23691781774878 -2.17564471393782 0.47053126190920 H -10.56289701638222 -3.00691112049583 -1.60534323076109 H -8.94553826269895 -2.32808651483561 -1.48209655662023 H -9.93015639868948 -4.69046853936844 0.15770218363801 H -8.97098574988491 -4.83917475604218 -1.30968603681802 H -7.03783866942226 -3.94378241216226 -0.33018052635279 H -7.74551432594037 -4.84759922233731 1.01046268050566 H -3.20611606335789 -5.67548697949764 7.69777769346202 H -2.71807432082212 -4.21780699991238 6.84495830781067 H -4.13650098083335 -5.12524922344808 6.29532788716503 H -2.23164850099419 -8.23643851998443 5.34845308281817 H -2.69492202163402 -7.83112796480190 6.98732205092097 H -3.84150995716569 -7.57665670943913 5.67833091057245 H -0.82552222130404 -6.34514457442008 7.36266278917494 H -0.21793284996717 -6.81280183209076 5.78210722831997 H -0.55039936426640 -3.98074120839232 6.83984856518206 H -0.21785520881613 -4.35807760655094 5.13877709012238 H 1.88466697371675 -5.47997173206005 5.79676654583161 H 1.18760549039036 -4.54571353793281 8.61389001369929 H 1.28310379908334 -6.22763100378139 8.07991996149146 H 3.35154385931395 -5.55806148882067 9.24200352429993 H 3.67058210764587 -5.97194634053000 7.55674927142119 H 4.87425257329360 -3.90467704772525 8.16684776221714 H 3.36199728917353 -3.15035394059100 8.67569955954291 H 3.95541623068264 -2.41571259996408 6.38842788844207 H 4.02565331227303 -4.09585285209171 5.85126390964271 H 1.86187548110939 -3.05858415423519 5.24012822292996 H 1.55750676121531 -2.66979990510603 6.93599002518265 N -2.78449441779632 -2.86056386164698 4.87305905972376 H -1.78156534344789 -2.68731669302295 4.97152351779290 H -3.23577250451675 -2.24473700900031 5.54422416217793 122 energy: -139.429041849508 gnorm: 0.000690638521 xtb: 6.5.1 (b24c23e) N -3.41404524099010 -3.29497235724773 1.85776767170696 C -3.69561488791775 -4.08542423252971 0.66559079850116 C -3.23565459852545 -5.52108172623874 0.85924103292933 N -3.67852273113671 -5.98683733307861 2.16855425616766 C -5.09697524898770 -6.34642581068213 2.16423752875477 C -5.63745240591062 -6.06395985756813 3.55955143797044 N -5.26816732457557 -4.70997425923893 3.95313432055722 Mo -3.41701504420852 -4.16195392932828 3.62800455273926 N -2.36513853052361 -5.60253349452195 4.41380829487731 C -1.71296114781602 -6.46850581139236 3.45127981214147 C -2.83107396732845 -7.09691581837596 2.61463207745942 H -1.10068361203300 -7.24572603694379 3.91180176995946 H -1.05104427397149 -5.87706845420019 2.80299177478708 H -3.41171587420407 -7.76578591516473 3.25244226752216 H -2.44177979139554 -7.67368394867543 1.76782663272349 H -6.71918407813319 -6.20768613481338 3.54820234224589 H -5.21892954742068 -6.78846368165034 4.27490560706296 H -5.62433410257752 -5.70840841132226 1.45093812535946 H -5.24799446360535 -7.39427850022346 1.87478220925962 H -3.17371507995076 -3.70189700328457 -0.21476570653354 H -4.77252477766666 -4.05662108757176 0.43942132936107 H -2.14264759094363 -5.54094637455943 0.83567718632992 H -3.61426282111939 -6.16513622858134 0.05320240917539 C -3.92628766976925 -1.32205020271868 0.41289018227532 C -2.99687918289359 -1.93106031631612 1.48783797904440 C -3.06364286866437 -0.95046472189567 2.66572718659994 C -1.54215128916266 -1.94973813402398 0.94278142983685 C -0.53984703583589 -2.61764596529676 1.88545184214450 C 0.72692763863250 -3.10890389019144 1.17206460268591 C 0.49544048165124 -4.33697740163110 0.29218564658873 C 1.72256828628992 -4.59668561835339 -0.59045055451830 C 3.02378545026586 -4.23309387277994 0.13748258213413 C 2.86091399000368 -4.42591748136952 1.64154275066452 C 1.81821421465217 -3.44825198354627 2.20110094453082 C -5.88109005711115 -2.67602005072624 5.18805080309829 C -6.38280559979286 -3.98482536961167 4.57263159552688 C -7.03058214651714 -4.79542804170331 5.71672969805015 C -7.48784138951704 -3.65527154315723 3.53324270121337 C -7.01003755351651 -2.73589357763927 2.41123805467755 C -7.92952197630851 -2.68732467415930 1.18023122274629 C -9.37518682613765 -2.34868505992758 1.54537120180075 C -10.17798310993566 -2.00386558779280 0.28447912343080 C -9.73393240903930 -2.85037240402003 -0.91722220009200 C -9.18266019717091 -4.19171863932949 -0.44638500630084 C -7.89203874133007 -3.98489561366872 0.35482404659617 C -3.13263500162031 -5.20291731842478 6.71506507460515 C -2.26641276100334 -6.07426971116622 5.79888230182439 C -2.79361846612420 -7.51825198920131 5.95211127964513 C -0.80100664216999 -6.05718966970671 6.30929488894696 C -0.09003005434386 -4.71290262826323 6.16679237363218 C 1.41017836868205 -4.77530031610736 6.48344515387475 C 1.68154158226941 -5.22845191190551 7.92002876338132 C 3.17935991843623 -5.25107104293307 8.21626487440681 C 3.80254693951346 -3.87868353699279 7.98240405157782 C 3.54164647020022 -3.42313430850230 6.55053094514765 C 2.04306749050902 -3.39735362999167 6.26589847786744 H -4.95647118770408 -1.34707601719898 0.75772513910808 H -3.86735109995586 -1.82772913092426 -0.54556855572880 H -3.64792926731610 -0.28512472780678 0.24434158997858 H -2.90334200962772 0.05855581441807 2.29266221998038 H -2.29723303116609 -1.14712995585387 3.40875041867863 H -4.04796557111496 -0.98183532034964 3.13082343563597 H -1.53015900368654 -2.46504464601457 -0.01798315107471 H -1.23470676438039 -0.92057649049526 0.75349301886221 H -1.02855992088073 -3.47091698587059 2.39378390928142 H -0.23410353094563 -1.90367609077579 2.65401560452991 H 1.08198190717652 -2.29501232781435 0.53155163372927 H -0.37890328782153 -4.20788992808576 -0.34632956118575 H 0.31774241580198 -5.20093977215135 0.93674941057156 H 1.74000587257106 -5.64986472982028 -0.87890719640816 H 1.64906799716720 -4.01005621284108 -1.50859704101187 H 3.28778236015786 -3.19179747832187 -0.05831062562451 H 3.84334011141076 -4.85035144103322 -0.23497639075698 H 2.55611254268877 -5.45701060229367 1.83244623869222 H 3.81776682010722 -4.27246283970031 2.14392514986777 H 1.35476295043766 -3.89374812308706 3.08490863425127 H 2.31127519410916 -2.52640711597464 2.51650968504158 H -5.28428026080256 -2.88165618597137 6.07468676852043 H -5.29053869855456 -2.11766472550222 4.46427669073473 H -6.73023629406948 -2.06661400345922 5.48746605564286 H -7.68502844060129 -4.14517705690263 6.29091998513943 H -6.27136944446778 -5.18863416190297 6.38800124805877 H -7.63046854609104 -5.62427973351135 5.35208090746437 H -8.31598561244155 -3.18707323073261 4.06558797066458 H -7.86836649775453 -4.58270845946948 3.10552972563370 H -6.92405306869420 -1.71880899967267 2.79775844171093 H -6.01211235874805 -3.06333636239619 2.09944453960297 H -7.56269881999002 -1.87220613138538 0.54549059514224 H -9.40051584529643 -1.50197273497831 2.23383309544573 H -9.83192556294528 -3.19952111236809 2.05160766780100 H -10.05394742590258 -0.94578331502330 0.04392302016943 H -11.23945031642872 -2.16766863629506 0.48209956187289 H -10.57593048914235 -3.00455163251706 -1.59479857018737 H -8.95700874376958 -2.32786586562545 -1.47986854884763 H -9.93687304535102 -4.68646349871855 0.16834868655793 H -8.98550001113032 -4.83885872308977 -1.30370307956884 H -7.04669182513992 -3.94054793514319 -0.33648299926462 H -7.74552570553816 -4.84677916348000 1.00730420509892 H -3.20394333943065 -5.66615846799146 7.69636882822052 H -2.71054446534030 -4.21127900081111 6.84197532575992 H -4.13248968299973 -5.11390597280162 6.29341365445543 H -2.24058354874514 -8.23407382729963 5.35080259374582 H -2.69647319664112 -7.82464115079171 6.99071076528557 H -3.84686548086109 -7.56780511786427 5.68531533305734 H -0.82458847597608 -6.34470240845061 7.36007428179523 H -0.21909843832960 -6.81371325382521 5.77914167808475 H -0.54564899746054 -3.98018485615385 6.83553764462220 H -0.21050233042396 -4.36014320253569 5.13562675943450 H 1.88756159913129 -5.48797522508193 5.80080125203332 H 1.18675718440550 -4.54438068629137 8.61401748583895 H 1.27716750348097 -6.22807371362453 8.08477264086362 H 3.34500983938919 -5.56355251482411 9.24995898649377 H 3.66662688614343 -5.98282160786394 7.56658906138861 H 4.87724598632738 -3.91913686482649 8.17384409852564 H 3.36735635526846 -3.15755933191242 8.67900100973883 H 3.96652242032863 -2.42917018160207 6.39186021421306 H 4.03299242896586 -4.11031352464502 5.85745506420818 H 1.87426903746252 -3.06762155951323 5.23907215731640 H 1.56656862842301 -2.67432833640456 6.93313511807206 N -2.78215988245807 -2.86030855894074 4.86438634350989 H -1.77868457608655 -2.68979962473461 4.96265813038807 H -3.23193365102299 -2.24152460082353 5.53369629043340 122 energy: -139.429049972384 gnorm: 0.000370541774 xtb: 6.5.1 (b24c23e) N -3.41418454706301 -3.29568551499565 1.85745041018227 C -3.69552657799290 -4.08610636441062 0.66519360549485 C -3.23474256680636 -5.52134316054988 0.85923420596838 N -3.67820532623573 -5.98714434057842 2.16834937404107 C -5.09676369831584 -6.34640580241620 2.16357759985174 C -5.63778811257464 -6.06391888636560 3.55872179277246 N -5.26858979522486 -4.70997821995544 3.95248263365351 Mo -3.41720615198313 -4.16223687313498 3.62785383862506 N -2.36497651216611 -5.60249227159861 4.41397993086277 C -1.71291783268860 -6.46877061547254 3.45166267506160 C -2.83082917165612 -7.09723214468031 2.61456483073296 H -1.10069204792300 -7.24592369980485 3.91237770346292 H -1.05083326532520 -5.87759080173430 2.80327813691955 H -3.41161881030966 -7.76658963722044 3.25190840120306 H -2.44096756869359 -7.67369543239436 1.76764308492697 H -6.71953974064625 -6.20766201921369 3.54687976598189 H -5.21965816401988 -6.78846150388359 4.27424289315575 H -5.62370695016950 -5.70814508854454 1.45019203218153 H -5.24802384444534 -7.39413516667784 1.87385522086917 H -3.17403812273061 -3.70221121081817 -0.21530782667070 H -4.77249790234267 -4.05777516707956 0.43917517923339 H -2.14168273399623 -5.54023506987630 0.83656509396876 H -3.61206800704983 -6.16597333655270 0.05307970801684 C -3.92670250377336 -1.32317237231454 0.41253468963638 C -2.99704925142920 -1.93182847995112 1.48758687794588 C -3.06388968759857 -0.95141163374090 2.66555915214712 C -1.54242758373234 -1.95073482192651 0.94212250848163 C -0.53982937956107 -2.61814256895934 1.88480132099670 C 0.72739276572871 -3.10905742982082 1.17183859781356 C 0.49688225413643 -4.33734604226021 0.29212597931911 C 1.72464742427220 -4.59755726181686 -0.58950495701452 C 3.02523403404429 -4.23265017521028 0.13854950371972 C 2.86202541242329 -4.42448635444299 1.64261679644599 C 1.81826109329349 -3.44769774248978 2.20149524799549 C -5.88137644642821 -2.67614757241712 5.18789049515323 C -6.38328046749037 -3.98453895748345 4.57180822604631 C -7.03190097589956 -4.79534295169481 5.71531422553615 C -7.48802189872736 -3.65459833021390 3.53243222895003 C -7.01049028573390 -2.73433468199119 2.41098541408672 C -7.93031667262450 -2.68621565439782 1.18031842273185 C -9.37604846611332 -2.34792235797016 1.54585011176701 C -10.17956151876306 -2.00333908236844 0.28542212908049 C -9.73534865424990 -2.84964439577032 -0.91627698655926 C -9.18345905794556 -4.19103180360688 -0.44606291443065 C -7.89323219115131 -3.98418736864071 0.35575568746515 C -3.13261729313957 -5.20320493118491 6.71564294047568 C -2.26633098419247 -6.07413966733323 5.79906056578712 C -2.79396897862972 -7.51800979985031 5.95181964619567 C -0.80088853357650 -6.05726330822671 6.30969920936243 C -0.08964606231977 -4.71312462272014 6.16675076019454 C 1.41057172460899 -4.77533683576079 6.48374833448929 C 1.68235474475800 -5.22815189512882 7.92035867533667 C 3.18035057530495 -5.25087421757506 8.21601100544525 C 3.80378259098500 -3.87874742918546 7.98174438463147 C 3.54225145926873 -3.42319829724178 6.54985859413928 C 2.04340810214603 -3.39729718527155 6.26625591865420 H -4.95681957940891 -1.34837714107139 0.75773053554132 H -3.86790419571354 -1.82910603064099 -0.54585480477476 H -3.64882480159774 -0.28613894031296 0.24381928277089 H -2.90224734564847 0.05766388465299 2.29295194636682 H -2.29837127552619 -1.14909694864519 3.40927300005901 H -4.04859802962875 -0.98204448430102 3.12975298190956 H -1.53055791120698 -2.46660951609509 -0.01834651985914 H -1.23499845898272 -0.92174231572871 0.75218368117540 H -1.02829909111449 -3.47143770083612 2.39323845793960 H -0.23469075575113 -1.90376858313054 2.65323015247951 H 1.08257013824338 -2.29518512871455 0.53141980809977 H -0.37690826118244 -4.20834846097752 -0.34715745213405 H 0.31846256206503 -5.20110416921367 0.93685349871127 H 1.74265654634002 -5.65101898737134 -0.87651667999688 H 1.65158300678330 -4.01220008116366 -1.50840883371345 H 3.28877746519519 -3.19143076504738 -0.05796026011205 H 3.84523954828341 -4.84965520257377 -0.23328399688289 H 2.55859755667998 -5.45572754355591 1.83415464563016 H 3.81845153690276 -4.26947005173530 2.14499200256825 H 1.35455685630261 -3.89363052698698 3.08490814503006 H 2.31030942500709 -2.52554853645136 2.51739241608618 H -5.28372549957192 -2.88254964941408 6.07368222136814 H -5.29166497845464 -2.11689536048174 4.46411642823889 H -6.73037762774157 -2.06732733536043 5.48875769410731 H -7.68683542155426 -4.14512646599793 6.28915936733457 H -6.27328864011776 -5.18882455262186 6.38711703988400 H -7.63169399037829 -5.62398793539346 5.34992599998700 H -8.31661262018194 -3.18710480962234 4.06481825608491 H -7.86795968427834 -4.58207124196027 3.10405053162458 H -6.92504343097277 -1.71729938285687 2.79772890435202 H -6.01245352408153 -3.06117048592405 2.09894808998280 H -7.56394978021842 -1.87139793393769 0.54497002621547 H -9.40137358993369 -1.50113313567772 2.23414940389467 H -9.83237242137686 -3.19884211064509 2.05238874563306 H -10.05625975480946 -0.94515024703003 0.04474201719009 H -11.24089780850701 -2.16770625536616 0.48340023778777 H -10.57738610511606 -3.00405394662609 -1.59363857265289 H -8.95874868296063 -2.32677184720115 -1.47900488828069 H -9.93771180591213 -4.68659232421295 0.16814329471936 H -8.98575708545116 -4.83760975768059 -1.30377073161431 H -7.04725698880089 -3.94113481031948 -0.33464970033100 H -7.74809787915550 -4.84550383529926 1.00902436893374 H -3.20484538703633 -5.66792516108988 7.69645787066666 H -2.70997984380154 -4.21179969058906 6.84448480454143 H -4.13226537386466 -5.11317864616337 6.29346371652995 H -2.24163466329171 -8.23383592162972 5.34999279461660 H -2.69684377157283 -7.82508466352934 6.99021520565485 H -3.84725831501952 -7.56665518579570 5.68518618789135 H -0.82461114895671 -6.34446942221195 7.36060427801276 H -0.21913033006966 -6.81412516029372 5.77982896531576 H -0.54540106939467 -3.97998467569856 6.83485737548499 H -0.20975174780091 -4.36093877471260 5.13538546586124 H 1.88818759993013 -5.48798053371863 5.80129070629249 H 1.18800753043152 -4.54367916799862 8.61420475667553 H 1.27776427166291 -6.22759074594364 8.08559570751468 H 3.34633640041051 -5.56326436427193 9.24969019227114 H 3.66729017030763 -5.98271958040588 7.56624514195177 H 4.87863432187613 -3.91936210473463 8.17260267406417 H 3.36916455707021 -3.15750445804691 8.67860068645452 H 3.96723435008120 -2.42931807459305 6.39074155723689 H 4.03307444524003 -4.11057628368705 5.85655084046077 H 1.87407379537807 -3.06693724393375 5.23961046711117 H 1.56735425415725 -2.67451785189653 6.93420316209689 N -2.78285068835149 -2.85956785726044 4.86350914053972 H -1.77933348699199 -2.68973942156841 4.96239978816214 H -3.23272032447231 -2.24290779977190 5.53526069071445 122 energy: -139.429061145017 gnorm: 0.001440208972 xtb: 6.5.1 (b24c23e) N -3.41441048128832 -3.29800675778172 1.85641599481577 C -3.69511830799734 -4.08916048786969 0.66444230312137 C -3.23121882163857 -5.52280558282697 0.85977031358834 N -3.67692185967219 -5.98864271612147 2.16813273273599 C -5.09581715826674 -6.34679730162173 2.16117587282315 C -5.63923731097411 -6.06386230491424 3.55540087780928 N -5.27034846156514 -4.71001135400291 3.94960535106676 Mo -3.41797743073004 -4.16347559907575 3.62730158717093 N -2.36475497777605 -5.60292631620776 4.41449614465744 C -1.71260560492831 -6.46992655463203 3.45299621298789 C -2.82985413264475 -7.09874930471911 2.61473694369043 H -1.10060620314024 -7.24681303028302 3.91444321755698 H -1.04993989202922 -5.87942337169831 2.80447367115421 H -3.41115509480353 -7.76955295830973 3.25039992901555 H -2.43809868472464 -7.67413654719754 1.76762165276091 H -6.72105713127252 -6.20750669430542 3.54139178274415 H -5.22271485274535 -6.78852044357849 4.27171454586596 H -5.62113330840198 -5.70783539709877 1.44719421576515 H -5.24775202052807 -7.39421528683391 1.87080047311132 H -3.17508942636417 -3.70471053523261 -0.21674091797603 H -4.77229271242054 -4.06269136313334 0.43896394926087 H -2.13796505974631 -5.53800958986243 0.84043332655129 H -3.60387361594227 -6.16948548171945 0.05310314731859 C -3.92851062868485 -1.32657786130485 0.41112913523222 C -2.99749905225412 -1.93453804959731 1.48565949257880 C -3.06412206487459 -0.95341653431237 2.66273136319452 C -1.54328468811872 -1.95451705964116 0.93882024185782 C -0.53983109236536 -2.61990282331484 1.88207015835964 C 0.72919783638913 -3.10936585480322 1.17090945849905 C 0.50229655891867 -4.33874452211256 0.29197619047161 C 1.73282883881598 -4.60101152297979 -0.58542774340258 C 3.03112139447652 -4.23022499955469 0.14310813553904 C 2.86711258082682 -4.41843671133127 1.64739749372915 C 1.81846797120607 -3.44521536239092 2.20313127591557 C -5.88238056067036 -2.67702740025063 5.18733642323927 C -6.38510774579258 -3.98381596272119 4.56875432801565 C -7.03664610086368 -4.79545353046390 5.71006890107881 C -7.48866609084411 -3.65183500230050 3.52945687270646 C -7.01284288312196 -2.72858457053851 2.40971718145906 C -7.93418672594302 -2.68193119530687 1.18037648660391 C -9.37973027625454 -2.34446567728311 1.54827026035015 C -10.18585152374014 -2.00163101635874 0.28920906532082 C -9.74143098940568 -2.84643120062424 -0.91329263093841 C -9.18706405805752 -4.18770651156774 -0.44521629381264 C -7.89810550191702 -3.98155108931696 0.35893383849369 C -3.13254798605966 -5.20373326427233 6.71696060066321 C -2.26611092691008 -6.07404073768980 5.79971759638797 C -2.79537093114586 -7.51746748470156 5.95125407984220 C -0.80049428408639 -6.05751012293087 6.31111299438234 C -0.08798514019964 -4.71403292182129 6.16658565614042 C 1.41226335799861 -4.77545853504083 6.48474662402640 C 1.68537820614761 -5.22679223460607 7.92163194611410 C 3.18403085420795 -5.25038196731322 8.21492182543838 C 3.80856289010097 -3.87918346926119 7.97897885783477 C 3.54430184743076 -3.42378069680299 6.54730797314482 C 2.04465861756921 -3.39708209266155 6.26729721347569 H -4.95832173574288 -1.35265149569629 0.75754522548271 H -3.87032671767298 -1.83281655345235 -0.54715677243355 H -3.65204100768541 -0.28923821693277 0.24208714951981 H -2.89826646951222 0.05532551267118 2.29063365664766 H -2.30119744394491 -1.15338669573752 3.40843415882109 H -4.04997658051301 -0.98141391325450 3.12446060489810 H -1.53229894726186 -2.47282953524303 -0.02037632934628 H -1.23599149105032 -0.92610243824311 0.74612654091358 H -1.02720434686283 -3.47351304170949 2.39086298995259 H -0.23667009393869 -1.90428083637447 2.65013032075565 H 1.08443872292149 -2.29547479786302 0.53063310036506 H -0.36932113562203 -4.21051904171205 -0.35047268090733 H 0.32146489472890 -5.20168243430502 0.93734758430839 H 1.75337401001456 -5.65588270777417 -0.86651085629351 H 1.66101332957287 -4.02096375807900 -1.50765709336430 H 3.29234937603353 -3.18903890128536 -0.05628255565430 H 3.85323683854289 -4.84606738241684 -0.22604652977477 H 2.56870817852642 -5.45046530165838 1.84140656401365 H 3.82220427544634 -4.25725943165428 2.14988009145085 H 1.35360470731003 -3.89303178820349 3.08493099754268 H 2.30635499368839 -2.52166295448515 2.52104344671233 H -5.28164341880905 -2.88618106565721 6.07021228539524 H -5.29579041312156 -2.11435765567331 4.46365993770448 H -6.73099100913652 -2.07037092170023 5.49345833651696 H -7.69326351864475 -4.14545569480173 6.28256655100356 H -6.28023021434632 -5.18992760960918 6.38375139822377 H -7.63603575512396 -5.62330369462608 5.34200723471044 H -8.31857749187033 -3.18682219350749 4.06214119101673 H -7.86686794097688 -4.57906736431181 3.09869885183623 H -6.92946676589118 -1.71184222475572 2.79763329036169 H -6.01434644907198 -3.05302689075695 2.09669202174867 H -7.56960793386216 -1.86804131598592 0.54289058585433 H -9.40482451118483 -1.49748652958969 2.23626894548202 H -9.83423535374088 -3.19583475810544 2.05578017327520 H -10.06564929615460 -0.94304574702989 0.04828294434124 H -11.24657321864468 -2.16840206363507 0.48877819695160 H -10.58369902971499 -3.00172786011514 -1.58997823654702 H -8.96604119772221 -2.32197467944716 -1.47615567287379 H -9.94132240723377 -4.68654375347650 0.16671630957407 H -8.98734553777002 -4.83168914175638 -1.30454882077215 H -7.04984380196284 -3.94297668239717 -0.32852889329419 H -7.75767585059305 -4.84113385887908 1.01506455311559 H -3.20878050346815 -5.67286799154581 7.69591245954934 H -2.70755797682881 -4.21369970906639 6.85230517602658 H -4.13116667252178 -5.10945161721459 6.29276003673802 H -2.24548617919140 -8.23331729419788 5.34746579805415 H -2.69780968614122 -7.82672824966754 6.98894264565982 H -3.84899446082815 -7.56301933502492 5.68550493878864 H -0.82490339245915 -6.34326226005625 7.36249267514078 H -0.21917771007269 -6.81573679078881 5.78264142854991 H -0.54417221545085 -3.97927387543879 6.83247879364782 H -0.20674090896267 -4.36392183404197 5.13442181519846 H 1.89058790206857 -5.48805417454442 5.80284372968439 H 1.19290547362265 -4.54078251221606 8.61520499734133 H 1.28008091762593 -6.22556979946266 8.08895892156611 H 3.35133480763051 -5.56230777911198 9.24855978394229 H 3.66937668048196 -5.98298422650042 7.56488777098894 H 4.88393129694476 -3.92082508739686 8.16740348119219 H 3.37651508962237 -3.15707521402327 8.67659232342571 H 3.96976171745250 -2.43031303149413 6.38665097802928 H 4.03306663983920 -4.11192928914673 5.85321823076595 H 1.87294300711500 -3.06463544818649 5.24152350795987 H 1.57049804977835 -2.67524147917512 6.93783662828902 N -2.78485218772089 -2.86564949437204 4.86882993219680 H -1.78188279873142 -2.68915937456600 4.96141690766961 H -3.23535728446502 -2.24925574933153 5.54131391281981 122 energy: -139.429068620371 gnorm: 0.000735294459 xtb: 6.5.1 (b24c23e) N -3.41473115253975 -3.29911269430031 1.85566109923771 C -3.69516128518969 -4.09088686211753 0.66407602774922 C -3.23004592182765 -5.52394625106763 0.86005856208933 N -3.67630490240784 -5.98941650707960 2.16832877005117 C -5.09522465020750 -6.34745218419955 2.16058459426994 C -5.63973004322412 -6.06374491765778 3.55421090686010 N -5.27091145919000 -4.70980801873645 3.94828304577750 Mo -3.41815540522520 -4.16352054556312 3.62716629077725 N -2.36461301633381 -5.60303000112610 4.41473368954681 C -1.71240936852199 -6.47027736511558 3.45353564197096 C -2.82949256374430 -7.09941200355518 2.61540129376765 H -1.10061366879356 -7.24712049401797 3.91528923669177 H -1.04952046721721 -5.88000850920478 2.80503391341617 H -3.41093231350053 -7.76989170489922 3.25100153593170 H -2.43759851878441 -7.67496435288291 1.76866704135408 H -6.72157527446557 -6.20710451531818 3.53912636110348 H -5.22399197235046 -6.78833609684427 4.27110592709262 H -5.62010516551719 -5.70886171086019 1.44592509828596 H -5.24701064370353 -7.39503395601565 1.87068555972766 H -3.17553999487258 -3.70664690636581 -0.21732156452966 H -4.77239192335704 -4.06521660288269 0.43890421432630 H -2.13674865337800 -5.53799475766810 0.84170839856646 H -3.60144304916805 -6.17129632639439 0.05333877010561 C -3.92886470980425 -1.32741715345433 0.41032128993959 C -2.99756074418813 -1.93594241195920 1.48422726396479 C -3.06346580976269 -0.95541320976971 2.66185851689640 C -1.54347425083962 -1.95626229309294 0.93696911002530 C -0.53983896200484 -2.62053684107996 1.88088324487483 C 0.73006362179789 -3.10921737122580 1.17072605668652 C 0.50467812112859 -4.33948686629272 0.29248187116863 C 1.73654824978421 -4.60247085685702 -0.58303559700591 C 3.03395802537677 -4.22828811747341 0.14566042625279 C 2.86977879813115 -4.41520416238927 1.65018957078665 C 1.81856974517668 -3.44357271258804 2.20432753888516 C -5.88268757331446 -2.67768024114321 5.18724666323225 C -6.38568783185971 -3.98386885361596 4.56770529167722 C -7.03768886309054 -4.79606547849153 5.70830391214662 C -7.48914150631000 -3.65087993888362 3.52867092085531 C -7.01428303655974 -2.72697548966240 2.40917601128860 C -7.93648534825847 -2.68045188570937 1.18036520042881 C -9.38166358158816 -2.34302885658490 1.54952683904826 C -10.18894098036397 -2.00085752876504 0.29096641412296 C -9.74453226528400 -2.84445229169212 -0.91244449680153 C -9.18942768157233 -4.18576527871421 -0.44559303737564 C -7.90066238040555 -3.98033494197269 0.35925511063700 C -3.13258555419262 -5.20395305495070 6.71742145057822 C -2.26608797868545 -6.07406845605927 5.80009330939960 C -2.79560495021338 -7.51746278915485 5.95158092185652 C -0.80044047403753 -6.05757841882672 6.31158272777744 C -0.08749436937848 -4.71434148524400 6.16653344609352 C 1.41277296348517 -4.77551766930064 6.48480337089762 C 1.68626938764862 -5.22626102861775 7.92183225505540 C 3.18513059180547 -5.25056428773222 8.21415367094782 C 3.81028900684148 -3.87969009336613 7.97725981807723 C 3.54475574990427 -3.42438710789014 6.54595726650365 C 2.04498995453121 -3.39714876889037 6.26714132005013 H -4.95859197914606 -1.35385292248847 0.75672690662969 H -3.87085712310740 -1.83299484929088 -0.54822651127666 H -3.65237673981748 -0.29004676799757 0.24172740561983 H -2.89559711736137 0.05296261318516 2.28999662935710 H -2.30187455345957 -1.15690850781183 3.40862193118454 H -4.05005971617024 -0.98160539453924 3.12236217003159 H -1.53285465793739 -2.47553053142948 -0.02171744798899 H -1.23633631241387 -0.92794185239159 0.74316895970471 H -1.02659745340697 -3.47449857380416 2.38976941041972 H -0.23728230536735 -1.90458883309466 2.64888876703056 H 1.08487244260802 -2.29530588292325 0.53016509571120 H -0.36607647911143 -4.21214744177814 -0.35136542422739 H 0.32334955886636 -5.20191579713277 0.93831470318491 H 1.75868429560879 -5.65819511972804 -0.86140115396531 H 1.66481720359046 -4.02492970679229 -1.50696767648294 H 3.29331872697361 -3.18676873841945 -0.05491416216034 H 3.85740651676730 -4.84322032978471 -0.22225245071169 H 2.57319511490318 -5.44776716293375 1.84523837619814 H 3.82456204676069 -4.25148949403035 2.15294711549853 H 1.35303145470287 -3.89226721338103 3.08540146658561 H 2.30452837337072 -2.51918430867539 2.52304655920617 H -5.28105926090793 -2.88761595464429 6.06944066866802 H -5.29702097439446 -2.11388663944584 4.46370172522572 H -6.73132465271853 -2.07166457030005 5.49479053562969 H -7.69466668949026 -4.14639075353241 6.28053092112388 H -6.28166806519498 -5.19072444801213 6.38224318629320 H -7.63677097360614 -5.62377421411093 5.33956149082545 H -8.31889724200910 -3.18627849332746 4.06177808160568 H -7.86746216485832 -4.57768621465835 3.09747617547658 H -6.93146784696704 -1.71038086945704 2.79768188676742 H -6.01569923247361 -3.05064602391660 2.09555394732633 H -7.57250480718118 -1.86660134985319 0.54245304431298 H -9.40633753865420 -1.49606238442644 2.23765117309716 H -9.83541685433434 -3.19454544206009 2.05735501115366 H -10.07017202155160 -0.94207247079555 0.05041627489581 H -11.24930698106738 -2.16897273087020 0.49125173715233 H -10.58704278432627 -2.99980999446529 -1.58895692240994 H -8.96967162769608 -2.31912194508379 -1.47523176761515 H -9.94349059053415 -4.68577843329693 0.16541665490451 H -8.98918112123824 -4.82835672872208 -1.30571580428246 H -7.05182580614599 -3.94245061599421 -0.32776876949339 H -7.76100546889880 -4.83997636149749 1.01579576240242 H -3.21098097892584 -5.67397665031388 7.69541574380438 H -2.70631731826135 -4.21516612827005 6.85466240340353 H -4.13031171671577 -5.10726173915602 6.29197435109556 H -2.24629239611607 -8.23330858512950 5.34714289670123 H -2.69729693805497 -7.82703851416269 6.98909397671207 H -3.84952431355349 -7.56257805727287 5.68657052687209 H -0.82521670394152 -6.34262690711663 7.36309909228111 H -0.21918584982345 -6.81627498270635 5.78374607029579 H -0.54372751630371 -3.97910732979452 6.83195567456054 H -0.20607702275267 -4.36472426608353 5.13414238755098 H 1.89112948661073 -5.48820472828362 5.80295095543185 H 1.19466351847867 -4.53967472007232 8.61552470935511 H 1.28071548861650 -6.22480018008022 8.09005716551521 H 3.35305082997473 -5.56218736441735 9.24778176052750 H 3.66956521035933 -5.98378955114145 7.56406958782589 H 4.88577898934110 -3.92218161190729 8.16449545367617 H 3.37962005789803 -3.15699185909688 8.67508124406332 H 3.97043795864611 -2.43112332595666 6.38496642908137 H 4.03265998357941 -4.11276416278271 5.85158280569242 H 1.87214885965670 -3.06440315323002 5.24183023416664 H 1.57168505853952 -2.67555650645161 6.93837390307828 N -2.78547686656635 -2.86168267468587 4.86452342709441 H -1.78213259743283 -2.69096291687613 4.96320321317935 H -3.23538676631545 -2.25073340597664 5.54163421228280 122 energy: -139.429074522257 gnorm: 0.000479970994 xtb: 6.5.1 (b24c23e) N -3.41462570932257 -3.29917586394111 1.85530281577371 C -3.69530464785679 -4.09106029253217 0.66387547214274 C -3.23023097589267 -5.52429094033628 0.86005739974992 N -3.67634970125760 -5.98991224899977 2.16831960076533 C -5.09513256192221 -6.34838583279725 2.16063080833689 C -5.63997938085777 -6.06390814777696 3.55392636214342 N -5.27097233480810 -4.70988532673837 3.94758136530563 Mo -3.41813811785002 -4.16386897562679 3.62675401671885 N -2.36456648469502 -5.60310305620891 4.41489301038788 C -1.71237652978561 -6.47039757336638 3.45372794148788 C -2.82951423551938 -7.09966787526907 2.61595856906470 H -1.10050279950351 -7.24713011382390 3.91558842637048 H -1.04958399564585 -5.88014507869149 2.80518002855874 H -3.41086586995760 -7.76926786377795 3.25242936644706 H -2.43812659948884 -7.67597155677796 1.76963973082397 H -6.72185305084985 -6.20679738317739 3.53850183606348 H -5.22469164019333 -6.78825099496995 4.27137830204192 H -5.62015589728346 -5.71063965185438 1.44534329355285 H -5.24640964758137 -7.39628523217221 1.87161187026593 H -3.17602540331743 -3.70670540472096 -0.21765500944913 H -4.77260139137840 -4.06562169953310 0.43911746532242 H -2.13697115093099 -5.53864223176899 0.84145940655588 H -3.60195088170067 -6.17157714228270 0.05346003756772 C -3.92825154166223 -1.32810673279673 0.40950478078568 C -2.99717030099965 -1.93614546743551 1.48371297527512 C -3.06247353545325 -0.95538459800236 2.66127452553743 C -1.54325852113309 -1.95696000881587 0.93611043279213 C -0.53980200771295 -2.62055817454915 1.88052258727241 C 0.73049647961098 -3.10909852233523 1.17102622157866 C 0.50604205522898 -4.34009225455969 0.29349442553484 C 1.73827852297607 -4.60295101368896 -0.58159280506838 C 3.03519267013858 -4.22682723509424 0.14702673001829 C 2.87068596047405 -4.41333396154774 1.65159392229762 C 1.81864601279038 -3.44230480630085 2.20529454026578 C -5.88261722904862 -2.67796252833301 5.18709230713704 C -6.38551166717107 -3.98419922437148 4.56748539889920 C -7.03686911459046 -4.79672083696539 5.70820152192089 C -7.48968807336226 -3.65119664802221 3.52897164058605 C -7.01480347947443 -2.72750650579290 2.40927033738069 C -7.93745467763786 -2.68044263996369 1.18064350730696 C -9.38262866936306 -2.34327569858278 1.54977795908477 C -10.19060444333336 -2.00016362825677 0.29181614766358 C -9.74590221336323 -2.84307912480490 -0.91197681568596 C -9.19100410673237 -4.18485148689074 -0.44638999907350 C -7.90201434016016 -3.97952311547631 0.35817811045123 C -3.13268599940885 -5.20335181913644 6.71710688997917 C -2.26618619201700 -6.07404264656418 5.80035940835644 C -2.79524387178458 -7.51756199589155 5.95241350938815 C -0.80065519805337 -6.05750151106995 6.31189721089934 C -0.08787377487572 -4.71422449063144 6.16660742486295 C 1.41239754523983 -4.77561737288145 6.48454324236469 C 1.68603509486763 -5.22640719858072 7.92147056109876 C 3.18490480134626 -5.25096578330640 8.21357690182071 C 3.81048575550350 -3.88029887572373 7.97606840690095 C 3.54471298384241 -3.42492549553895 6.54492202578940 C 2.04492969745643 -3.39747519482511 6.26653686629236 H -4.95801842035981 -1.35443827623026 0.75561549221143 H -3.86994769717561 -1.83377638133702 -0.54904363952793 H -3.65162451891212 -0.29074674368700 0.24099173904881 H -2.89433290286832 0.05275533792434 2.28914234747947 H -2.30087709703909 -1.15712888874822 3.40790860758329 H -4.04905788659349 -0.98112461001047 3.12194702853008 H -1.53248016923115 -2.47680955636854 -0.02225159556670 H -1.23608852535157 -0.92872527306519 0.74172805053450 H -1.02661913435714 -3.47444684721024 2.38950266643579 H -0.23778103839320 -1.90426816896306 2.64839452731670 H 1.08506747799325 -2.29540565108771 0.53004458345204 H -0.36454763695432 -4.21347169884677 -0.35067823233381 H 0.32485932414550 -5.20207196474568 0.93987167942080 H 1.76154367362183 -5.65898814605068 -0.85886433194202 H 1.66640316073211 -4.02643148250571 -1.50618192327335 H 3.29298007346477 -3.18497305260455 -0.05383128272140 H 3.85946345732377 -4.84078320004859 -0.22063185813411 H 2.57485984268734 -5.44612446448238 1.84699980469810 H 3.82527980432634 -4.24881582755087 2.15458078118121 H 1.35285339055758 -3.89120724346398 3.08613154415677 H 2.30380346863322 -2.51748506875226 2.52408410521539 H -5.28139922047719 -2.88767105927776 6.06967639746035 H -5.29656195335110 -2.11438084870841 4.46370560991109 H -6.73127785503849 -2.07173308630043 5.49420638318781 H -7.69362897588938 -4.14734365035985 6.28088050660293 H -6.28030016335570 -5.19125078409180 6.38159758181825 H -7.63579628851210 -5.62464053672434 5.33975019750481 H -8.31869128993631 -3.18596328336400 4.06265482427820 H -7.86881950826611 -4.57786168393157 3.09830058010437 H -6.93153720417771 -1.71087538611421 2.79766400689381 H -6.01644711020699 -3.05138301497103 2.09514870871911 H -7.57340825404794 -1.86626107564231 0.54318200206185 H -9.40696402433658 -1.49635414469587 2.23796059310425 H -9.83643881898385 -3.19467186636745 2.05775122267134 H -10.07236091352071 -0.94119499963031 0.05194098794049 H -11.25081151845857 -2.16910914654189 0.49216478817096 H -10.58858410423029 -2.99786287893753 -1.58847396910140 H -8.97127489546916 -2.31724141343755 -1.47461037725162 H -9.94489134499575 -4.68490668567458 0.16463090244522 H -8.99098041086495 -4.82698136115183 -1.30687052214855 H -7.05349992923206 -3.94055781069160 -0.32930402435704 H -7.76145729336360 -4.83989556328781 1.01368779047777 H -3.21200570278086 -5.67294962702169 7.69499775643721 H -2.70577051812435 -4.21495033061849 6.85382748659285 H -4.12994391946062 -5.10617729991770 6.29075605193573 H -2.24580342322079 -8.23346883457085 5.34808567690617 H -2.69637256878732 -7.82664039697871 6.99001648375475 H -3.84925372752061 -7.56338349457789 5.68785470779321 H -0.82544217963605 -6.34233796320018 7.36344617836289 H -0.21934991821841 -6.81620047965082 5.78415635915204 H -0.54380625045898 -3.97904180563152 6.83236229010474 H -0.20676927671313 -4.36441324603266 5.13427731703329 H 1.89049970252508 -5.48849845220688 5.80267767568705 H 1.19466130195358 -4.53962576874585 8.61515143733400 H 1.28019312417506 -6.22482138150733 8.08983207170438 H 3.35305364354289 -5.56236494351006 9.24722315927496 H 3.66903703291585 -5.98445227055477 7.56354427055251 H 4.88597914335465 -3.92331131877999 8.16286136791937 H 3.38037412830185 -3.15753255750733 8.67413157933997 H 3.97046794295847 -2.43168450762875 6.38399240220942 H 4.03232134068383 -4.11326047702335 5.85033748589892 H 1.87198556097472 -3.06509796022376 5.24123723667382 H 1.57185706180355 -2.67565518542379 6.93759958693764 N -2.78513915617538 -2.86233830869049 4.86430480228281 H -1.78174315131222 -2.69179654308762 4.96344230985255 H -3.23508637493532 -2.24998427529243 5.53964300628709 122 energy: -139.429084993263 gnorm: 0.000637837567 xtb: 6.5.1 (b24c23e) N -3.41441584260062 -3.30021019838479 1.85411651960740 C -3.69590033448533 -4.09303926567520 0.66353084080401 C -3.23028194001230 -5.52628923452598 0.86004987151568 N -3.67637720003994 -5.99150590051983 2.16845784582445 C -5.09482471582614 -6.35121490055191 2.16044435052892 C -5.64094141591237 -6.06451252589285 3.55268907143411 N -5.27141729810235 -4.71026617190679 3.94535056144016 Mo -3.41828057154729 -4.16465924099992 3.62580030519621 N -2.36468653215865 -5.60343147332356 4.41515332885699 C -1.71212779356492 -6.47080161511488 3.45424573261838 C -2.82946435771516 -7.10068092023513 2.61744695094181 H -1.09997510135816 -7.24717147134166 3.91643617175756 H -1.04958410810821 -5.88054390744815 2.80552045332214 H -3.41090550079047 -7.76828309471564 3.25591773998317 H -2.43904743861196 -7.67882899318278 1.77203444436193 H -6.72291342132112 -6.20616372979529 3.53589407274558 H -5.22730523155641 -6.78827175519322 4.27176238216739 H -5.62007505006350 -5.71580806485187 1.44324940660698 H -5.24475496669460 -7.39997271132324 1.87381865401155 H -3.17752906200540 -3.70910448337928 -0.21865265419258 H -4.77341826182784 -4.06826142023576 0.43979254772253 H -2.13704384855334 -5.54073067410048 0.84106389824931 H -3.60241624510740 -6.17360670635932 0.05367358777549 C -3.92706965249660 -1.32945558745833 0.40735510175993 C -2.99619368980438 -1.93763790665347 1.48145454471275 C -3.05999907689792 -0.95585721527484 2.65835296237401 C -1.54255709233584 -1.95961625405860 0.93340352054629 C -0.53937085595734 -2.62102839578083 1.87928813608339 C 0.73222565678030 -3.10885337398436 1.17183871384233 C 0.51064450272998 -4.34197911328893 0.29648327635053 C 1.74437562873988 -4.60466670943449 -0.57658720338218 C 3.03945121347925 -4.22190266923763 0.15186418062039 C 2.87489036186345 -4.40696702772578 1.65654820239998 C 1.81953376621749 -3.43832790502090 2.20798058442408 C -5.88257302623551 -2.67883502998352 5.18601671600045 C -6.38539503062748 -3.98526599505283 4.56659838262417 C -7.03481849925989 -4.79856154904726 5.70791459176634 C -7.49119977747104 -3.65192585851563 3.52933962172114 C -7.01726342237765 -2.72876674926856 2.40874804649925 C -7.94121734295184 -2.67969920765796 1.18091536925036 C -9.38593811559627 -2.34302016614207 1.55197319710046 C -10.19556049946966 -1.99863333436415 0.29521157529211 C -9.75104082151115 -2.83833460574925 -0.91090379807713 C -9.19578655719212 -4.18084662118790 -0.44807529690000 C -7.90585667030968 -3.97699441951264 0.35545905384491 C -3.13331253989092 -5.20185619587028 6.71625660514869 C -2.26659195346472 -6.07387463991344 5.80091762577180 C -2.79490103751825 -7.51749694018678 5.95444415854648 C -0.80136926140035 -6.05691283764266 6.31283420604339 C -0.08857510077402 -4.71379610306089 6.16700044290359 C 1.41175407239279 -4.77599353236174 6.48378974002175 C 1.68579766888675 -5.22648227925384 7.92063612776991 C 3.18479061758936 -5.25227374588248 8.21159260227108 C 3.81178319750637 -3.88236611683524 7.97260235311447 C 3.54489192960846 -3.42685856855605 6.54177693511216 C 2.04494991854138 -3.39836605930148 6.26465572519617 H -4.95700202436322 -1.35599698683496 0.75282942916481 H -3.86806112838217 -1.83494470143968 -0.55130060484174 H -3.65046160996272 -0.29200637249727 0.23907715103956 H -2.89042494979913 0.05178577384537 2.28567242391200 H -2.29859437227103 -1.15855002405000 3.40479971301753 H -4.04650137371378 -0.98004027794754 3.11939916213938 H -1.53171106826057 -2.48166522224787 -0.02373931098055 H -1.23537351460012 -0.93179090755447 0.73662473914864 H -1.02598259216443 -3.47481426387861 2.38865678485332 H -0.23906854552413 -1.90354116031777 2.64666494200244 H 1.08605478117309 -2.29580964556913 0.52965285859243 H -0.35941668527274 -4.21781819667070 -0.34885580062256 H 0.32997221226062 -5.20274899028629 0.94451088294301 H 1.77118130266251 -5.66174081516644 -0.84967740653883 H 1.67182354974192 -4.03202398728067 -1.50353557707329 H 3.29249493945364 -3.17917023417136 -0.05029878160476 H 3.86649488875864 -4.83264185226373 -0.21471348571116 H 2.58191400579631 -5.44037414831394 1.85316993204678 H 3.82868026188976 -4.23912169635286 2.16000105586151 H 1.35323161147595 -3.88799127753104 3.08811436211160 H 2.30163691412274 -2.51203593771654 2.52713149585099 H -5.28219344253962 -2.88810927780199 6.06933549275951 H -5.29569536429012 -2.11579936389743 4.46283352357361 H -6.73122026341685 -2.07212799793241 5.49224643884118 H -7.69114742848899 -4.14990880407075 6.28178942060919 H -6.27689942785244 -5.19285514047671 6.38000439986554 H -7.63351019471592 -5.62689200584369 5.34005843471391 H -8.31851073785671 -3.18545606012693 4.06457883131315 H -7.87218527805580 -4.57827025550685 3.09968318129267 H -6.93244256865618 -1.71224518736579 2.79713368196092 H -6.01967056256798 -3.05336173709817 2.09305346665508 H -7.57738669152702 -1.86426326730904 0.54489516313692 H -9.40944866311316 -1.49658600946798 2.24086655738851 H -9.83941445171483 -3.19470238535523 2.05976467455106 H -10.07941792138860 -0.93905169888474 0.05733931472921 H -11.25521768086464 -2.16997710172322 0.49622303782757 H -10.59401023332545 -2.99153313164594 -1.58757877330620 H -8.97681534049698 -2.31088805761096 -1.47256121116114 H -9.94915546602594 -4.68171706335885 0.16278076138870 H -8.99644591266948 -4.82146240309527 -1.30978250031287 H -7.05840791009831 -3.93552596519228 -0.33332322336604 H -7.76332502093872 -4.83909986793595 1.00843212955044 H -3.21543269925016 -5.67111287226353 7.69390125225392 H -2.70467584383251 -4.21424260669500 6.85291498112873 H -4.12939520947017 -5.10302725132784 6.28745663260220 H -2.24534228034031 -8.23354119232400 5.35032351470810 H -2.69451332176745 -7.82545024285899 6.99225512823317 H -3.84914885819025 -7.56477319139603 5.69111346604058 H -0.82633940830701 -6.34107022957051 7.36454173826033 H -0.21991500098518 -6.81585397498690 5.78565184575046 H -0.54367539718603 -3.97854618011920 6.83332215952731 H -0.20827617461348 -4.36385826618128 5.13479197404966 H 1.88895843546269 -5.48950238348801 5.80189052132792 H 1.19535736537490 -4.53900333858976 8.61432515774590 H 1.27907340416838 -6.22444450231180 8.08960828642061 H 3.35349598404227 -5.56288210141340 9.24535066862524 H 3.66770918105201 -5.98677882106961 7.56177455649984 H 4.88741589559300 -3.92694659950487 8.15800092205861 H 3.38349969279008 -3.15902876252795 8.67117900785276 H 3.97105284296543 -2.43380812018677 6.38063308986956 H 4.03143774612022 -4.11528840898081 5.84656592099064 H 1.87147667160307 -3.06662324686568 5.23931573106314 H 1.57283060112515 -2.67590313534846 6.93566113914962 N -2.78470810566925 -2.86386054803470 4.86387037044127 H -1.78124450426590 -2.69344974228762 4.96341699404118 H -3.23508833174681 -2.24766140339958 5.53518209000363 122 energy: -139.429093117982 gnorm: 0.000686988442 xtb: 6.5.1 (b24c23e) N -3.41426495577763 -3.30201384744990 1.85258485691089 C -3.69645075931920 -4.09588206937343 0.66287786513518 C -3.22966638130368 -5.52870839718644 0.86012005427746 N -3.67613194946947 -5.99359210178526 2.16854466589878 C -5.09438279089710 -6.35416077909375 2.15966061400021 C -5.64234425148109 -6.06531106070778 3.55069071273391 N -5.27243255488501 -4.71088530802818 3.94259385191306 Mo -3.41888536068896 -4.16565034410845 3.62469205072365 N -2.36491614158836 -5.60364532135317 4.41534604797239 C -1.71192337038054 -6.47140611972240 3.45502812709570 C -2.82917178650187 -7.10220760432723 2.61883405872712 H -1.09956430401500 -7.24731888293814 3.91774187915019 H -1.04953091806417 -5.88135722989013 2.80594879114548 H -3.41075424179192 -7.76878168738999 3.25831111092456 H -2.43890072308754 -7.68155658827835 1.77416973149255 H -6.72444974996737 -6.20586557388829 3.53204985177544 H -5.23067738833754 -6.78869456779798 4.27130948529373 H -5.61945602659083 -5.72070358174385 1.44059079302009 H -5.24325918633262 -7.40359390144721 1.87498117443328 H -3.17942066369032 -3.71227149822971 -0.22023719841866 H -4.77426322600156 -4.07212450031860 0.44034878943913 H -2.13638642389525 -5.54231586542620 0.84156092583822 H -3.60097361941950 -6.17665822516485 0.05384786479898 C -3.92645970433427 -1.33228711838671 0.40447927917541 C -2.99529086371966 -1.94006290757212 1.47854909845724 C -3.05783877811792 -0.95748098366965 2.65483785836106 C -1.54199022317919 -1.96375904747452 0.92982132083553 C -0.53875603221902 -2.62208664671773 1.87778947559787 C 0.73460417427124 -3.10862202537527 1.17280052143791 C 0.51686626957678 -4.34425737344792 0.29996450790787 C 1.75280863169926 -4.60715307651379 -0.57010629765603 C 3.04563286773519 -4.21594339511422 0.15783131711315 C 2.88110664575590 -4.39864394497873 1.66277753700081 C 1.82098803466814 -3.43351796292485 2.21131803917508 C -5.88284581184172 -2.67970378560203 5.18409217391684 C -6.38595567239862 -3.98615954993566 4.56487291770177 C -7.03407891433740 -4.79999457093506 5.70658118046156 C -7.49284223423227 -3.65239838731660 3.52871551863869 C -7.01982103555543 -2.72882742516912 2.40806961674622 C -7.94575002731650 -2.67788812015851 1.18168102006925 C -9.39012066188864 -2.34225058748206 1.55502759059016 C -10.20230050047873 -1.99646647843212 0.30018638145546 C -9.75754063312985 -2.83249673305596 -0.90833818697207 C -9.20153790622924 -4.17608492525703 -0.44948905307464 C -7.91107061135814 -3.97348511207201 0.35355658907770 C -3.13439712436614 -5.20052519545269 6.71571504921339 C -2.26722998218948 -6.07329313440532 5.80142522303585 C -2.79546749198808 -7.51682690085857 5.95577085374114 C -0.80222714492283 -6.05610000991183 6.31389343541754 C -0.08892866894985 -4.71335816174378 6.16724170490773 C 1.41151821952145 -4.77627682263124 6.48305200375857 C 1.68645879006946 -5.22612344044080 7.91993707813598 C 3.18570699851476 -5.25371745550365 8.20927778945077 C 3.81431221484572 -3.88479955891364 7.96863601893589 C 3.54585585354008 -3.42918579252282 6.53813839212134 C 2.04559610914465 -3.39925486099920 6.26291474242825 H -4.95641835593019 -1.35937478157775 0.74988527448727 H -3.86709222810966 -1.83753281460532 -0.55428616144529 H -3.65036936524496 -0.29466977027913 0.23644951425664 H -2.88590804464619 0.04953586284336 2.28154477205035 H -2.29731037034914 -1.16116702023749 3.40192052368861 H -4.04468240571854 -0.97937479526157 3.11528436295143 H -1.53155964744730 -2.48895647541637 -0.02566699280089 H -1.23492360665216 -0.93653754262080 0.72965952299237 H -1.02443984131285 -3.47601042588447 2.38779246910149 H -0.24043379414344 -1.90303777735362 2.64449343420208 H 1.08742963670762 -2.29619033387549 0.52929515012719 H -0.35232535906471 -4.22320670963862 -0.34720262731466 H 0.33649092676464 -5.20376278162514 0.94981069127312 H 1.78390570115155 -5.66564691576504 -0.83738854192824 H 1.67948895555213 -4.03981021539622 -1.50027832720352 H 3.29325667001211 -3.17229606925681 -0.04650445087691 H 3.87603716702554 -4.82313078105317 -0.20712443124389 H 2.59238428368985 -5.43291586523908 1.86129689099391 H 3.83387736114912 -4.22558323298296 2.16643253926161 H 1.35427147899193 -3.88426849164517 3.09069680673588 H 2.29891174229498 -2.50518731410478 2.53089901816591 H -5.28241136811148 -2.88887250720071 6.06742883651896 H -5.29598364441882 -2.11689701015085 4.46065686658863 H -6.73140758602785 -2.07284066728063 5.49026405788557 H -7.69007160857114 -4.15184265337983 6.28139540532139 H -6.27530228233791 -5.19419574957982 6.37776559803674 H -7.63275224767705 -5.62848114536791 5.33906090633873 H -8.31934006203966 -3.18586960259712 4.06516395599019 H -7.87471146751099 -4.57840329191505 3.09907364304397 H -6.93349959077471 -1.71273262431173 2.79724659000608 H -6.02303834383969 -3.05410409188261 2.09048965181433 H -7.58307160731172 -1.86109008359243 0.54676630485981 H -9.41277711748662 -1.49675193948713 2.24507283736163 H -9.84238381866815 -3.19477343481319 2.06248997399428 H -10.08888886298337 -0.93604623012076 0.06464723630754 H -11.26133695881062 -2.17066381373527 0.50220682412501 H -10.60067191761415 -2.98426400388404 -1.58510550693369 H -8.98383477777195 -2.30302754513379 -1.46882871119465 H -9.95428627665802 -4.67848777574110 0.16090986590226 H -9.00288318534407 -4.81468548980091 -1.31290516288764 H -7.06421984287112 -3.93030215912372 -0.33585017734603 H -7.76768836803556 -4.83683292476655 1.00472018938835 H -3.21963709843051 -5.67039763611781 7.69281363583539 H -2.70427006390660 -4.21379459685053 6.85433398111529 H -4.12933147927169 -5.09936518153254 6.28479172941769 H -2.24632947591337 -8.23301717865567 5.35141596124412 H -2.69400253193184 -7.82442632855787 6.99361324328583 H -3.84996785701780 -7.56425832559722 5.69344437498881 H -0.82776070858199 -6.33934160209972 7.36584876289495 H -0.22069937063810 -6.81568633034445 5.78768944814071 H -0.54317413849340 -3.97766859131732 6.83365368429368 H -0.20911081864064 -4.36369583879663 5.13500802522792 H 1.88772978777157 -5.49042459638856 5.80113732546022 H 1.19760576358641 -4.53763372681594 8.61375826030251 H 1.27871750896526 -6.22348426851487 8.09001338590987 H 3.35515577555142 -5.56368664204967 9.24311343507829 H 3.66680605610442 -5.98946685175912 7.55952121279620 H 4.89020299488743 -3.93103082201885 8.15220031130449 H 3.38839570976502 -3.16041844909158 8.66757917264315 H 3.97281652326112 -2.43658591283373 6.37630021604991 H 4.03079220990999 -4.11820075745629 5.84239485765339 H 1.87105096920898 -3.06747045611427 5.23777196184452 H 1.57497597028452 -2.67626545992407 6.93440389897365 N -2.78530601450369 -2.86470218421965 4.86263403001442 H -1.78185132282609 -2.69469727770076 4.96256959865245 H -3.23590537217983 -2.24659744377780 5.53218006283102 122 energy: -139.429101692761 gnorm: 0.000426638302 xtb: 6.5.1 (b24c23e) N -3.41433353117279 -3.30467946969891 1.85062825020795 C -3.69726436543854 -4.09963122912607 0.66184806342703 C -3.22907439779842 -5.53180904664604 0.85995431123244 N -3.67610832058332 -5.99616039143659 2.16838417809424 C -5.09422757149540 -6.35740429706455 2.15868724127241 C -5.64400413761588 -6.06653400010301 3.54859050192749 N -5.27368195617555 -4.71198192634050 3.93974813892710 Mo -3.41980649897782 -4.16694595444728 3.62330580303517 N -2.36525518110573 -5.60364595111866 4.41537721001233 C -1.71195320098889 -6.47212887239143 3.45592301931539 C -2.82885501660795 -7.10398767968606 2.61998903902762 H -1.09935020827065 -7.24739674127053 3.91938686377759 H -1.04971418556705 -5.88247995371960 2.80633255826767 H -3.41045661699447 -7.77015841925392 3.25990388705523 H -2.43814504223870 -7.68405631396008 1.77596670670984 H -6.72625229174015 -6.20607719475661 3.52824145364666 H -5.23426784330717 -6.78958485397489 4.27064227354523 H -5.61897251864104 -5.72568025994337 1.43783206068390 H -5.24222585993416 -7.40740731668948 1.87573482102844 H -3.18168549970151 -3.71639105692951 -0.22227634541996 H -4.77538501401631 -4.07686655534437 0.44056934663214 H -2.13572645064338 -5.54426799313655 0.84215478538262 H -3.59915037371377 -6.18065851830218 0.05383783867346 C -3.92571858333742 -1.33612243043729 0.40090725346995 C -2.99438823877703 -1.94341509674574 1.47518377669623 C -3.05603165836594 -0.95945883222122 2.65029642081979 C -1.54128178392974 -1.96904724429698 0.92610848201635 C -0.53784675439540 -2.62354445246598 1.87646253885219 C 0.73771476010901 -3.10845785622359 1.17435161311556 C 0.52477011899689 -4.34711185899109 0.30466595926296 C 1.76298212290220 -4.60985893997431 -0.56243031239633 C 3.05313250644773 -4.20886928482987 0.16465352587630 C 2.88896055709932 -4.38843038143890 1.66998392778330 C 1.82345478005003 -3.42744254709454 2.21535349149197 C -5.88342129507888 -2.68041071371945 5.18111369111721 C -6.38682916095667 -3.98719201253961 4.56275106012748 C -7.03380877137920 -4.80099767460261 5.70511372287475 C -7.49454367801330 -3.65355793017351 3.52750992807695 C -7.02282935632303 -2.72908087349028 2.40703248772662 C -7.95096162367632 -2.67552545934106 1.18249945592767 C -9.39489090865491 -2.34170410008293 1.55958299621204 C -10.20968456613403 -1.99402855280660 0.30694216433277 C -9.76525062661537 -2.82542761815144 -0.90475885151267 C -9.20811226882175 -4.17005903096630 -0.45021568793937 C -7.91664451954799 -3.96939406265375 0.35169637581080 C -3.13572337511524 -5.19884383093904 6.71519327933133 C -2.26819429139178 -6.07219224214935 5.80181867610987 C -2.79684653180443 -7.51551187925888 5.95672359050559 C -0.80345223660425 -6.05484183797260 6.31511705564479 C -0.08943312328294 -4.71254592695908 6.16749806341222 C 1.41125978569648 -4.77650781264696 6.48212288469160 C 1.68723076030867 -5.22595812611189 7.91895277686271 C 3.18685488047743 -5.25546526092120 8.20636998643536 C 3.81733736162136 -3.88775567312632 7.96416745317955 C 3.54729938478183 -3.43220519583486 6.53388851688249 C 2.04663889655988 -3.40026134125706 6.26098868549687 H -4.95570599223695 -1.36411170750113 0.74626001426615 H -3.86583799276364 -1.84129932226336 -0.55784402202377 H -3.65052958891113 -0.29825050883462 0.23299952058135 H -2.88167038347943 0.04689306646537 2.27620072905566 H -2.29663219558689 -1.16381624843254 3.39833673973383 H -4.04331095912748 -0.97899882811535 3.10983841139291 H -1.53095271261142 -2.49830816211987 -0.02715839915466 H -1.23413502961469 -0.94269590793711 0.72169181896709 H -1.02243903049182 -3.47747004521562 2.38737847147735 H -0.24221369529150 -1.90228165764912 2.64213284006745 H 1.08921736677522 -2.29675769440854 0.52923224575576 H -0.34352397990726 -4.22994486295239 -0.34444268893235 H 0.34495071939974 -5.20510666222626 0.95676434974872 H 1.79914300488215 -5.66986140445756 -0.82297077530394 H 1.68860598109963 -4.04865392989520 -1.49622031104187 H 3.29468225312344 -3.16435824433780 -0.04254983050337 H 3.88714743612515 -4.81216426008665 -0.19853862582178 H 2.60555760369507 -5.42366835725212 1.87101767517451 H 3.84051891486255 -4.20898287485349 2.17360731574126 H 1.35674286416114 -3.87940448031923 3.09409745685260 H 2.29649472975346 -2.49663341610134 2.53503496600468 H -5.28286348590832 -2.88906533613251 6.06443788553969 H -5.29656881014792 -2.11827123450170 4.45710698154602 H -6.73182636512312 -2.07320373852916 5.48697954427327 H -7.68920677281927 -4.15289244319987 6.28071314158744 H -6.27431608413050 -5.19519400282592 6.37547963345101 H -7.63280695538054 -5.62948288287129 5.33811616016461 H -8.32091469930056 -3.18774540410354 4.06478575857847 H -7.87633768331390 -4.57945399043315 3.09748625422068 H -6.93451265279617 -1.71360860174796 2.79729332143705 H -6.02707342712575 -3.05519079161680 2.08706084512525 H -7.58989653495145 -1.85701432667383 0.54885084085843 H -9.41680749342622 -1.49773210297850 2.25151043375260 H -9.84554992001337 -3.19572338979315 2.06600790472804 H -10.09920167017530 -0.93265126504294 0.07421115574076 H -11.26801614565606 -2.17122489215536 0.51013669076343 H -10.60853372973589 -2.97533763227804 -1.58172377453736 H -8.99198460280077 -2.29358756653080 -1.46360273355099 H -9.96002957668956 -4.67444451861028 0.15967696630505 H -9.01041135746554 -4.80621079196231 -1.31566239298728 H -7.07055949948133 -3.92448972343701 -0.33847663726937 H -7.77235799562221 -4.83401555517264 1.00094270553751 H -3.22352208345581 -5.66946939755873 7.69180710619559 H -2.70456410288038 -4.21275684793119 6.85580372248567 H -4.12971524926781 -5.09596088559367 6.28255131588762 H -2.24828663029154 -8.23200001316828 5.35223440011086 H -2.69511052778724 -7.82307506419590 6.99455496985694 H -3.85145645529273 -7.56238685989971 5.69477571602932 H -0.82967174908948 -6.33708570890012 7.36735253365721 H -0.22197950548563 -6.81522810288107 5.78997518322791 H -0.54273490506648 -3.97629399473693 6.83390909929710 H -0.21008208361246 -4.36321604839179 5.13521754353007 H 1.88622496236351 -5.49140608466771 5.80014432052308 H 1.20029614755406 -4.53625090192069 8.61288522175951 H 1.27817623341879 -6.22259091002043 8.09018368208096 H 3.35713959606054 -5.56509538443438 9.24018466227608 H 3.66602879990649 -5.99233149960261 7.55648979759515 H 4.89349464609362 -3.93562365765230 8.14589845125738 H 3.39382706957138 -3.16240492818932 8.66356086503976 H 3.97541622862226 -2.44026375820051 6.37111778505743 H 4.03022588609540 -4.12213813855635 5.83764499810930 H 1.87107651311850 -3.06810891344526 5.23612424040292 H 1.57791501308661 -2.67662368111739 6.93314130230083 N -2.78670644455993 -2.86481793313776 4.86025261338332 H -1.78321003550792 -2.69574245275612 4.96083145603797 H -3.23723065558253 -2.24589505818669 5.52923943183892 122 energy: -139.429109099835 gnorm: 0.000274936956 xtb: 6.5.1 (b24c23e) N -3.41442876026295 -3.30767577408804 1.84829384440850 C -3.69810912580863 -4.10382578939686 0.66049368791115 C -3.22880709769354 -5.53532872944725 0.85967094511731 N -3.67627119220844 -5.99886286489075 2.16826629339777 C -5.09432761230410 -6.36054024303742 2.15799348097354 C -5.64527146369266 -6.06809259924223 3.54712587041933 N -5.27477995213716 -4.71335786543411 3.93750434049054 Mo -3.42090839852304 -4.16798465403662 3.62171910252967 N -2.36611362175703 -5.60358442760478 4.41500372635754 C -1.71233594743930 -6.47292432528394 3.45667221866089 C -2.82873825802587 -7.10603647377322 2.62084566648520 H -1.09962441621898 -7.24753741550737 3.92107043886108 H -1.05008732603313 -5.88375942393616 2.80662504415119 H -3.41036207924710 -7.77245066047448 3.26055984339280 H -2.43702515500857 -7.68616717731188 1.77723786299588 H -6.72758900848059 -6.20721393597066 3.52575781748113 H -5.23675248341390 -6.79087474384144 4.27010316520536 H -5.61878086358283 -5.72992072742382 1.43593655580533 H -5.24190640696397 -7.41091263264664 1.87621431303218 H -3.18363908494543 -3.72133252526823 -0.22457838564798 H -4.77647663592696 -4.08182857335555 0.44019961789264 H -2.13539182749526 -5.54662863135028 0.84260574274340 H -3.59769748987249 -6.18516227234327 0.05378714316383 C -3.92468818137639 -1.34046620726324 0.39647928450206 C -2.99343645622927 -1.94716503413335 1.47132352766339 C -3.05497623663916 -0.96186891632590 2.64527348684796 C -1.54026553986070 -1.97491731517532 0.92262617137478 C -0.53671467533811 -2.62523069188531 1.87587845949645 C 0.74111113051712 -3.10816521619513 1.17647680026041 C 0.53298442009204 -4.35004982534987 0.31031329891729 C 1.77332870386185 -4.61217939559986 -0.55405693539150 C 3.06113078366349 -4.20140633862678 0.17152878194140 C 2.89791391714700 -4.37731169003365 1.67733165887273 C 1.82686914999767 -3.42063335652065 2.21944220726213 C -5.88417572454465 -2.68082990892153 5.17747492206001 C -6.38779857371721 -3.98824243892570 4.56062444232469 C -7.03402894298011 -4.80134254439695 5.70388796651998 C -7.49579872702892 -3.65533963972622 3.52574800414586 C -7.02510551450559 -2.72944911362072 2.40608587021085 C -7.95589579282870 -2.67333889873438 1.18388447529427 C -9.39936853641515 -2.34166418800494 1.56479685287770 C -10.21709601780007 -1.99132219170263 0.31486773369844 C -9.77310539030450 -2.81806298689673 -0.90011988229110 C -9.21485175320540 -4.16406528020818 -0.45083539433013 C -7.92236947665487 -3.96506113106886 0.34975665345381 C -3.13723036623193 -5.19675517647225 6.71449403288569 C -2.26955494966405 -6.07076027905345 5.80188627778421 C -2.79912818671818 -7.51368373425044 5.95732913555519 C -0.80496118446773 -6.05336968297386 6.31587618804540 C -0.09005631693606 -4.71155612195836 6.16752923647979 C 1.41093699767207 -4.77672779915156 6.48083496970258 C 1.68804786253504 -5.22596763805279 7.91756109751807 C 3.18802818408887 -5.25778882391149 8.20306631608657 C 3.82008130769559 -3.89104962309594 7.95989103240236 C 3.54871631007346 -3.43548871769405 6.52981926443216 C 2.04769861942188 -3.40124749930109 6.25895529846735 H -4.95481755282087 -1.36950112300589 0.74148855232936 H -3.86396633498264 -1.84558428450225 -0.56220469246052 H -3.65051935632927 -0.30235606914263 0.22859713791926 H -2.87874444528903 0.04379656486850 2.27009339147052 H -2.29680581445474 -1.16617125919663 3.39459221035034 H -4.04277891090797 -0.97940120315315 3.10370661120203 H -1.52987412666371 -2.50843122882585 -0.02828728345100 H -1.23318477996615 -0.94945456124959 0.71382123524340 H -1.01995371446141 -3.47927094533750 2.38777941227756 H -0.24380631699477 -1.90171360248908 2.64046690686809 H 1.09074241267124 -2.29719674009720 0.52944666259128 H -0.33483165515912 -4.23743511143547 -0.34029051444964 H 0.35474182736882 -5.20657918801587 0.96483518839053 H 1.81451115928377 -5.67347617964190 -0.80823619330629 H 1.69725866384721 -4.05689452596400 -1.49116337810675 H 3.29689035030596 -3.15625787591022 -0.03898809445978 H 3.89854543543225 -4.80111302513013 -0.18974053481936 H 2.62012771299752 -5.41343310305973 1.88131998001474 H 3.84837588434747 -4.19112894267844 2.18044231791900 H 1.36094464421873 -3.87352052450468 3.09808103204029 H 2.29495562806436 -2.48714672757303 2.53851094161739 H -5.28382911274847 -2.88850287717638 6.06111578453629 H -5.29704396717130 -2.11984017872774 4.45275263103785 H -6.73254273744767 -2.07309451509474 5.48232513824574 H -7.68863196022367 -4.15271138540702 6.27987600370404 H -6.27419509791796 -5.19570708254629 6.37377053228005 H -7.63377208244337 -5.62960964359116 5.33757645007287 H -8.32290300890845 -3.19105959088889 4.06324086416386 H -7.87636774768647 -4.58133329499359 3.09474313174219 H -6.93484218916120 -1.71481017882277 2.79795207995640 H -6.03039758383555 -3.05633361750011 2.08358730948851 H -7.59699954515508 -1.85287778208904 0.55159811731116 H -9.42063250792101 -1.49992150215152 2.25943569744260 H -9.84808409225850 -3.19775611856472 2.06942159266409 H -10.10888995538494 -0.92897408372847 0.08545114772368 H -11.27480014985318 -2.17097763734712 0.51930250955833 H -10.61666412198773 -2.96592447054823 -1.57709505670570 H -9.00038275584823 -2.28385548157946 -1.45744714706644 H -9.96560174855473 -4.67042703147223 0.15892464091231 H -9.01850898326382 -4.79766940913071 -1.31849667642571 H -7.07720933083756 -3.91827546381883 -0.34132891920772 H -7.77693249821788 -4.83105606012898 0.99683631190887 H -3.22588123618217 -5.66740776444702 7.69113641090442 H -2.70573038499229 -4.21082203388382 6.85573793636814 H -4.13096122621705 -5.09339826318919 6.28136182242802 H -2.25091434522351 -8.23069636335734 5.35321482446457 H -2.69809442919659 -7.82106821868795 6.99526989466219 H -3.85365778744539 -7.55961173022871 5.69485394010598 H -0.83187454138985 -6.33460641057445 7.36837608119273 H -0.22351666633853 -6.81453067477336 5.79180960335817 H -0.54230835529182 -3.97478317209553 6.83404736873101 H -0.21123633295495 -4.36243208436068 5.13526667599016 H 1.88443601101054 -5.49225663140747 5.79850314570339 H 1.20303271624121 -4.53532077615831 8.61189389833282 H 1.27780941900366 -6.22192660584014 8.08966090350184 H 3.35906664392672 -5.56751324887466 9.23674140726960 H 3.66523980211315 -5.99553192194472 7.55272000380058 H 4.89643417044105 -3.94037483632019 8.14021736108505 H 3.39858968840951 -3.16474351432180 8.65951811163936 H 3.97829282401768 -2.44436731543670 6.36592081342585 H 4.02956191461879 -4.12659938489961 5.83331361606608 H 1.87116300347071 -3.06852173668523 5.23441293968721 H 1.58102498303719 -2.67702886643312 6.93195105690397 N -2.78847849126564 -2.86432628090473 4.85729612484457 H -1.78491707979652 -2.69586073325987 4.95790746331852 H -3.23874547003452 -2.24511649966646 5.52640199279335 122 energy: -139.429114310145 gnorm: 0.000329682460 xtb: 6.5.1 (b24c23e) N -3.41464833203334 -3.31036521391978 1.84605339030373 C -3.69880867092641 -4.10727143630226 0.65887021513974 C -3.22904425552405 -5.53840963243483 0.85907895424575 N -3.67666353695830 -6.00118654493217 2.16788369031762 C -5.09475181389268 -6.36283968613867 2.15786200825541 C -5.64572062863536 -6.06962505599572 3.54686420441236 N -5.27529683524601 -4.71467932636445 3.93639849555299 Mo -3.42167837687815 -4.16915146728877 3.62008877631366 N -2.36678431006221 -5.60355624221130 4.41466272461428 C -1.71292416087695 -6.47389284578395 3.45734333197058 C -2.82884089844401 -7.10777883998633 2.62133468883180 H -1.10036015369271 -7.24805755014957 3.92265093901386 H -1.05052377013182 -5.88541346581857 2.80683639721958 H -3.41036347467439 -7.77456265732265 3.26073170401889 H -2.43627146930611 -7.68784540990133 1.77805344172796 H -6.72804218285052 -6.20895022220057 3.52574151446893 H -5.23709959750425 -6.79200285724855 4.27015727195320 H -5.61923656731916 -5.73261290375883 1.43546109496962 H -5.24236651815593 -7.41334524638224 1.87663343356788 H -3.18492821333445 -3.72530993729201 -0.22677968473984 H -4.77730184453774 -4.08560680873474 0.43911665519814 H -2.13558519497884 -5.54914947314594 0.84248106752195 H -3.59730458691255 -6.18907347259174 0.05358450905493 C -3.92312696218901 -1.34475948874787 0.39180155330916 C -2.99270249012349 -1.95045016331158 1.46801110215365 C -3.05480979884735 -0.96371668628616 2.64071182979378 C -1.53926433908904 -1.97977010736558 0.92020331038834 C -0.53574807034886 -2.62656575873850 1.87596025543877 C 0.74398559556959 -3.10777308241536 1.17872392991201 C 0.54017630065463 -4.35274986530950 0.31601488379712 C 1.78164674632589 -4.61370740123129 -0.54721940150804 C 3.06768791457002 -4.19513256245545 0.17684954001456 C 2.90544024782348 -4.36738332186907 1.68318740316621 C 1.83021610047931 -3.41405447708718 2.22301165108537 C -5.88486655413779 -2.68092462764367 5.17448015289080 C -6.38834358621260 -3.98907352985233 4.55907533101405 C -7.03450228498337 -4.80114053634278 5.70308365067192 C -7.49625575237112 -3.65749167545875 3.52395704177768 C -7.02675500228956 -2.73016898398089 2.40504955900692 C -7.95965975232995 -2.67157855798036 1.18477951787003 C -9.40268682386206 -2.34236586952111 1.56971272261002 C -10.22262648521928 -1.98897570172722 0.32216676653637 C -9.77990862985969 -2.81177603710711 -0.89590014090196 C -9.22045294446385 -4.15872870055345 -0.45087126018905 C -7.92659099646199 -3.96154589401968 0.34794563661774 C -3.13827852425698 -5.19446204233940 6.71385331146445 C -2.27083214288561 -6.06943922939061 5.80196504635714 C -2.80133788399262 -7.51194380268670 5.95802209377037 C -0.80635905092178 -6.05226485463520 6.31632731453984 C -0.09086539859584 -4.71074940718892 6.16734077355193 C 1.41037179359172 -4.77699982819104 6.47950983690630 C 1.68833827606550 -5.22679159260431 7.91590895311544 C 3.18857259623662 -5.26009126818574 8.20002801095322 C 3.82185868930306 -3.89401514742065 7.95652866195643 C 3.54976227383283 -3.43833151197375 6.52663388646785 C 2.04845624329558 -3.40215472445525 6.25744271953005 H -4.95357467935646 -1.37450169820569 0.73586982686426 H -3.86106955505313 -1.85010027712060 -0.56668855047768 H -3.64965099076017 -0.30648453895303 0.22393207794616 H -2.87769742810106 0.04141076727827 2.26447874059185 H -2.29757602774589 -1.16733825137781 3.39115364453170 H -4.04312784441481 -0.98025461189834 3.09806248132038 H -1.52835429843511 -2.51678184667903 -0.02874071861387 H -1.23216002840266 -0.95503403601007 0.70794581987533 H -1.01787099556719 -3.48077229949344 2.38856774923908 H -0.24529271760961 -1.90113876889147 2.63967403383856 H 1.09153718015585 -2.29753536211220 0.52966396995432 H -0.32765468399798 -4.24453496461798 -0.33531697578740 H 0.36398037705343 -5.20791071465233 0.97293326095283 H 1.82700531293667 -5.67587768473816 -0.79685129006679 H 1.70376091532340 -4.06261189804000 -1.48661434560421 H 3.29891617831112 -3.14960712345574 -0.03680545311960 H 3.90770709990991 -4.79220668418088 -0.18281821506686 H 2.63251347807452 -5.40420089217137 1.89015271991309 H 3.85514569066676 -4.17536639354367 2.18549405506479 H 1.36546891145180 -3.86728259323859 3.10208031358955 H 2.29432044055760 -2.47810290895465 2.54069447677745 H -5.28522119062404 -2.88742961221612 6.05884925525778 H -5.29702122860191 -2.12125818772748 4.44929713272395 H -6.73335517883916 -2.07252516969895 5.47767944344607 H -7.68832932696877 -4.15170195732873 6.27908662306991 H -6.27470227762402 -5.19575702663228 6.37282502875772 H -7.63508281753325 -5.62910978852099 5.33742545159213 H -8.32454990382327 -3.19502646193816 4.06117552714517 H -7.87494808790546 -4.58379737664412 3.09193178549647 H -6.93518015570000 -1.71624897272064 2.79835023129531 H -6.03279696871941 -3.05722836866358 2.08039488827109 H -7.60276209984488 -1.84932683324243 0.55367309929404 H -9.42344698779511 -1.50290244081939 2.26712158876431 H -9.84974020123932 -3.20054233479328 2.07231922224466 H -10.11567444692088 -0.92588836760370 0.09558381603244 H -11.27984487500415 -2.17009928012349 0.52777354892208 H -10.62409587941715 -2.95787333431115 -1.57245755821676 H -9.00787069256034 -2.27559406565374 -1.45226962848667 H -9.97004342105104 -4.66694652328922 0.15881770823292 H -9.02547821076461 -4.79000342267194 -1.32050680275087 H -7.08247259473787 -3.91284232933579 -0.34427061198487 H -7.77981878433871 -4.82891809002450 0.99292723639281 H -3.22609522386013 -5.66390450030435 7.69119297752578 H -2.70715411426896 -4.20815463869813 6.85368648325470 H -4.13236395719884 -5.09208152180294 6.28134312319648 H -2.25302916521217 -8.22971188117855 5.35490840995429 H -2.70178967977310 -7.81872352160938 6.99627040191850 H -3.85560058881462 -7.55711152327363 5.69433060959351 H -0.83372747807852 -6.33290286823645 7.36898054629667 H -0.22505677216594 -6.81393737601757 5.79286052122836 H -0.54216344719019 -3.97368932837900 6.83416566520797 H -0.21252646409901 -4.36152928014239 5.13516477175133 H 1.88267360848093 -5.49283564302359 5.79668482317955 H 1.20484559210614 -4.53559142096570 8.61072120813167 H 1.27711865048469 -6.22228914453690 8.08836257444252 H 3.36028505251231 -5.57035612281912 9.23343173029819 H 3.66438111212839 -5.99812301854395 7.54900684618514 H 4.89831735207303 -3.94421094537238 8.13604526130454 H 3.40150940359715 -3.16733812922031 8.65644686035200 H 3.98060487562675 -2.44788997591760 6.36198594717133 H 4.02891273129976 -4.13038864004531 5.82989401989988 H 1.87127221550906 -3.06870585140618 5.23326659415244 H 1.58335094507541 -2.67762655630048 6.93118384853121 N -2.78983073919354 -2.86387245260793 4.85421271020556 H -1.78622549632543 -2.69566915437035 4.95475212372678 H -3.23986232920769 -2.24468304622985 5.52358886726854 122 energy: -139.429118665869 gnorm: 0.000325186483 xtb: 6.5.1 (b24c23e) N -3.41478284857337 -3.31262959913183 1.84385787679291 C -3.69922602362778 -4.11036261388081 0.65727538932879 C -3.22960879349432 -5.54135014508916 0.85847432524865 N -3.67713429272933 -6.00296666247024 2.16769965166725 C -5.09530847725624 -6.36428783139698 2.15835401641617 C -5.64517281346389 -6.07097966578505 3.54778837989913 N -5.27504626728880 -4.71571429274697 3.93637324203047 Mo -3.42185849675595 -4.16972154585067 3.61864362223323 N -2.36764288395391 -5.60381771835767 4.41414494218252 C -1.71369168588965 -6.47507542658177 3.45776377350786 C -2.82931472108724 -7.10937034082047 2.62161663053298 H -1.10156105265102 -7.24908137601231 3.92388408552613 H -1.05086231992985 -5.88729407529873 2.80705781562716 H -3.41088591077091 -7.77640952533035 3.26068024689849 H -2.43613583699790 -7.68929721189140 1.77851957458871 H -6.72740892560298 -6.21113475401023 3.52798586767710 H -5.23528980679023 -6.79284792177764 4.27084833836454 H -5.62000054792354 -5.73368510432976 1.43640092355375 H -5.24343871784202 -7.41470638878009 1.87702966426886 H -3.18520402368614 -3.72929991377187 -0.22864780881507 H -4.77770588818241 -4.08855979300997 0.43744472556097 H -2.13612242627146 -5.55207957866103 0.84190228511765 H -3.59794882311999 -6.19259527409932 0.05348651609585 C -3.92135849201448 -1.34803657431769 0.38719772237338 C -2.99224816687131 -1.95311380714220 1.46493757547647 C -3.05579723495697 -0.96508685834245 2.63648742898852 C -1.53826908694725 -1.98335516487992 0.91871496880916 C -0.53506039496248 -2.62763579229885 1.87642838643040 C 0.74612870466066 -3.10727664158270 1.18065702788689 C 0.54546189887009 -4.35494654771347 0.32116638697970 C 1.78740023615939 -4.61426579889469 -0.54188417296849 C 3.07248259678053 -4.19018531626294 0.18060076975177 C 2.91158291066689 -4.35903228580093 1.68746881625359 C 1.83342558795529 -3.40795215411479 2.22539379995097 C -5.88536052366914 -2.68082908462956 5.17228561686725 C -6.38841063285376 -3.98968164828343 4.55805215720745 C -7.03505778104005 -4.80058200318852 5.70262063162989 C -7.49592289667830 -3.65953547835819 3.52225703965931 C -7.02720515226541 -2.73068650916768 2.40434832457190 C -7.96201259560970 -2.67055460105901 1.18572638899478 C -9.40467336968305 -2.34329375973827 1.57365409689920 C -10.22650589834996 -1.98689090669738 0.32832392432130 C -9.78535094013192 -2.80702480985801 -0.89212698526655 C -9.22465783809333 -4.15480741854254 -0.45112297061703 C -7.92963116260833 -3.95870834838013 0.34607293534568 C -3.13873029832380 -5.19234151440799 6.71320782221068 C -2.27194262406679 -6.06849011815495 5.80187355621473 C -2.80338597384280 -7.51050894860476 5.95907371396239 C -0.80752263007782 -6.05156243878302 6.31633391615058 C -0.09159932958081 -4.71028096252390 6.16708977045959 C 1.40982929514033 -4.77745739880833 6.47825492675617 C 1.68834685728925 -5.22813834246754 7.91426228289039 C 3.18874509842064 -5.26255626821689 8.19743406465757 C 3.82251563425162 -3.89664738995383 7.95437729534105 C 3.55008080655961 -3.44051018727184 6.52470166005947 C 2.04862150865880 -3.40286680646371 6.25659487202894 H -4.95233399708489 -1.37833067557943 0.72965693179084 H -3.85750972396744 -1.85355599021819 -0.57106538560189 H -3.64824032592905 -0.30966152409038 0.21937457710717 H -2.87867222274638 0.03972537277956 2.25942266327091 H -2.29926851040492 -1.16763180184398 3.38788871501488 H -4.04453967820753 -0.98154414757920 3.09292122311102 H -1.52634662524448 -2.52272953574694 -0.02885036929204 H -1.23114180523103 -0.95909557525971 0.70428863810348 H -1.01649838861655 -3.48201262119560 2.38938043708831 H -0.24662443931053 -1.90086131179567 2.63959819206349 H 1.09156278643919 -2.29776448888465 0.52957506148755 H -0.32299889756458 -4.25085598235398 -0.33000738013773 H 0.37206326518667 -5.20895966631673 0.98031292578678 H 1.83577522164067 -5.67681489260216 -0.78906641622350 H 1.70748951582566 -4.06559955623516 -1.48248373121799 H 3.30072405267595 -3.14461950906130 -0.03592664961325 H 3.91407559561542 -4.78578570234931 -0.17779473764544 H 2.64228750437236 -5.39619098481834 1.89727923687886 H 3.86089640546089 -4.16252646642607 2.18872563844002 H 1.37017209891182 -3.86093293626278 3.10532978040962 H 2.29465298672924 -2.46996853657765 2.54123595358787 H -5.28685692478223 -2.88624887852676 6.05765593044485 H -5.29644878290043 -2.12232573642032 4.44707982730398 H -6.73408189089311 -2.07181589194886 5.47359869340474 H -7.68827170772964 -4.15018504021333 6.27825775148346 H -6.27563028565274 -5.19551670332892 6.37258346288982 H -7.63646264829420 -5.62818847032293 5.33746846255134 H -8.32561741960810 -3.19894657542841 4.05892622437992 H -7.87234601885546 -4.58633725342549 3.08927825268604 H -6.93500882988925 -1.71731571318669 2.79888688091803 H -6.03370686379772 -3.05745457620844 2.07798861286538 H -7.60684269109974 -1.84685716435934 0.55559187453405 H -9.42509042174003 -1.50597640440910 2.27363618141782 H -9.85046769884244 -3.20332463214555 2.07417752034126 H -10.11967669761213 -0.92329541437281 0.10414562908354 H -11.28344827689180 -2.16836669143669 0.53500069763601 H -10.63049821834892 -2.95194352186265 -1.56770419797525 H -9.01437429387124 -2.26935869729194 -1.44851074742409 H -9.97301107525619 -4.66458989765085 0.15875954223898 H -9.03091884479835 -4.78413266017309 -1.32244104707308 H -7.08651742303139 -3.90838420626322 -0.34724043053794 H -7.78155443404458 -4.82732106202986 0.98906855903898 H -3.22417484611079 -5.65961195901397 7.69182071310656 H -2.70843422944375 -4.20521879030341 6.84984979684805 H -4.13373050452072 -5.09214401887872 6.28229087645920 H -2.25454525609628 -8.22923444751209 5.35760363316817 H -2.70566779828685 -7.81612444994617 6.99782670793151 H -3.85725389516380 -7.55546073053294 5.69380049746559 H -0.83493166345094 -6.33193197775233 7.36904971517134 H -0.22642068320850 -6.81349341811110 5.79305351105737 H -0.54221789614890 -3.97312809829777 6.83426922460342 H -0.21378367344826 -4.36092445563193 5.13502169849757 H 1.88131141749585 -5.49321625320207 5.79475826378432 H 1.20562060493859 -4.53699721462413 8.60966741851192 H 1.27662134960468 -6.22346316164004 8.08641550268548 H 3.36090400639199 -5.57361817497242 9.23051564538045 H 3.66380780016542 -6.00035698920015 7.54559280581214 H 4.89898142482222 -3.94732487774650 8.13365966030331 H 3.40257061370922 -3.17009620781876 8.65467195689543 H 3.98180184410547 -2.45050981407528 6.35978289477418 H 4.02807186049233 -4.13303013051296 5.82762656959483 H 1.87099990113391 -3.06854075317516 5.23280289273735 H 1.58459814504213 -2.67842041638145 6.93116789224583 N -2.79040743952033 -2.86313637647977 4.85150441089447 H -1.78680934744565 -2.69472068811860 4.95185974329898 H -3.24044063464479 -2.24392822865489 5.52082314957611