94 energy: -132.559986946576 gnorm: 0.067519145827 xtb: 6.5.1 (b24c23e) N -3.47260367336509 -3.51453371108304 1.98221221006980 C -3.00264028308248 -4.49077687196333 1.00092971490611 C -2.56455576655114 -5.77154310947977 1.69304235224720 N -3.49234823115321 -6.11611443732097 2.78719765880824 C -4.78392992007166 -6.65716039009294 2.31918054463262 C -5.86318526472768 -6.38311812947030 3.36005393886766 N -5.74809861057199 -5.00604451543569 3.84542085437955 Mo -4.01097168387945 -4.08200021486784 3.81563732543737 N -2.61066238279523 -4.83252755427360 5.04551772199927 C -1.93700312820424 -6.07825882509033 4.68221637419234 C -2.85108682293791 -6.94311861387016 3.82569727929593 H -1.67149749888461 -6.66567019068529 5.57533925368328 H -0.98456511601698 -5.88201528258716 4.14839028291999 H -3.64501732595738 -7.35206470976377 4.46333285284422 H -2.29873158785064 -7.79049121575682 3.37713787042785 H -6.84598100780308 -6.56311021435794 2.89162757151448 H -5.78526208966648 -7.10724689757415 4.19452970022153 H -5.04055992681836 -6.12628444820360 1.39153289575297 H -4.70873428688982 -7.73719151218652 2.09016089633659 H -2.13996913319095 -4.10965301721483 0.42833362010820 H -3.79505711379801 -4.70849861433188 0.25703767275504 H -1.57883448109440 -5.60845139930051 2.14819084651523 H -2.47306526470437 -6.60335904239006 0.96914832751153 C -3.88675937488737 -1.97022470255268 0.03474300548216 C -3.52612755646614 -2.11887551795755 1.51528691530630 C -2.21873573950703 -1.34627186450800 1.88728571807957 C -0.94693374475307 -2.04648318678153 1.50853080883030 C -0.35315086098123 -2.95514493541474 2.40058011761300 C 0.78116152271319 -3.67774491903296 2.03763170737249 C 1.36401144015721 -3.50686663307635 0.77420838921607 C 2.58116255193834 -4.27739369068304 0.38809305502384 Cl 4.11975744150320 -3.38628252948157 0.83771780052460 C 0.79186125422445 -2.58162845666571 -0.11017414029157 C -0.34526331943446 -1.86259643782761 0.25356376416686 C -7.77722431516651 -5.22089412103215 5.29510050710218 C -6.99979843178488 -4.37330478998530 4.28581430011430 C -7.87007679908186 -3.97531275924901 3.06329589907385 C -9.05340544233238 -3.12995389867800 3.44321607613483 C -10.35447663098780 -3.65252354957787 3.45340118867914 C -11.43993458709106 -2.87296296593677 3.84954607992881 C -11.25366807376116 -1.54366993933516 4.25058887469950 C -12.41157835917922 -0.71013998714209 4.68380627076452 Cl -12.71634173429227 -0.86035768830538 6.48708377503923 C -9.95478565268694 -1.01501128663219 4.24108246858370 C -8.87269023282711 -1.79560688577163 3.84224882484712 C -0.76045545857566 -4.41905488056914 6.68765432922053 C -2.24352205465130 -4.25097411374681 6.34339243510835 C -3.18290496567679 -4.71458207880972 7.50133204400497 C -3.28137789799291 -6.20137997973581 7.66973682699650 C -2.35180343654949 -6.92926483705197 8.42997600781865 C -2.40826935681481 -8.32050764280979 8.49194250379107 C -3.40705702251442 -9.02652953857297 7.80633841881588 C -3.44560599203510 -10.51596838551888 7.83770729250565 Cl -2.54154296522034 -11.23522848463347 6.40885754770008 C -4.36290530470422 -8.30308672347080 7.08062611083368 C -4.29901740992273 -6.91362446888166 7.01493416860203 H -4.82154594065315 -2.50283165685058 -0.19326176136167 H -4.03862004644443 -0.90656265771897 -0.19791382237689 H -3.10345874985215 -2.35003133449257 -0.63594385578318 H -4.32252273496687 -1.62631617290582 2.09049414587142 H -2.26402203870568 -0.34901425049173 1.42158129613568 H -2.23497285651463 -1.20325421035614 2.97823049536541 H -0.80319609122115 -3.10691111248777 3.38400458800897 H 1.22835584835749 -4.38205361459704 2.74394169941758 H 2.64888753527674 -4.43362776492940 -0.69396771303832 H 2.64595207468138 -5.23844796239432 0.90958147991721 H 1.24667056551736 -2.42407265589602 -1.09103946455282 H -0.78037053862200 -1.14800723182347 -0.44880972290784 H -8.65431901840825 -4.66749519733680 5.65782539719191 H -8.13685830785239 -6.16132490954415 4.85075540442149 H -7.14513507611124 -5.46508591801436 6.16039590367202 H -6.69909634440451 -3.43794600723783 4.78067341480367 H -7.21564814757953 -3.42210442339198 2.37124138021678 H -8.21597372988700 -4.88147100373367 2.54072538985023 H -10.51611736728206 -4.68765445775256 3.14312197492165 H -12.44609333957317 -3.29904255722134 3.85022787074524 H -12.24273076649199 0.35834724687006 4.51229258814480 H -13.34904480653798 -1.02179176009160 4.21076893630797 H -9.79470870278708 0.02072128655986 4.55002769021475 H -7.86729269487303 -1.36724272000646 3.83880431081810 H -0.52196845231231 -3.83137238440287 7.58578013353499 H -0.13112404512134 -4.05120114051975 5.86399380253313 H -0.48179805235000 -5.46219435415042 6.89041832341449 H -2.43341055047861 -3.17057379780326 6.25427263436724 H -4.17927551118015 -4.30613444494584 7.27596965240505 H -2.83028233879587 -4.24267603303464 8.43277507192465 H -1.57184369134449 -6.39655395941727 8.97841112376605 H -1.66792096266311 -8.87098644792143 9.07729968983442 H -4.46362900811290 -10.91123726337749 7.75416251214496 H -2.95282110327029 -10.92973010439670 8.72386167977168 H -5.15800533310930 -8.83921026946504 6.55606698189714 H -5.03956516608191 -6.35713275962410 6.43755871056080 N -4.28952435981989 -2.51288706088674 4.68990658984722 H -3.65807504106584 -1.71534313747925 4.88151561087725 94 energy: -132.570071391712 gnorm: 0.029800381938 xtb: 6.5.1 (b24c23e) N -3.50170070215324 -3.52577952624457 1.98729812700186 C -3.01113833734959 -4.48391188900066 1.00849793578338 C -2.57631089150578 -5.76621252902855 1.70724859631254 N -3.49902427617676 -6.08577506106456 2.80040713617449 C -4.77255458141117 -6.64119329790481 2.32673316150058 C -5.86708928792402 -6.37352689400986 3.35801922037028 N -5.74096720351103 -5.00128196854326 3.83160751360809 Mo -4.00690374252923 -4.09922042481937 3.81393873037145 N -2.62072616377916 -4.83287493098220 5.04738226471560 C -1.94759652906797 -6.07183861700405 4.69245327063889 C -2.86298651641782 -6.92467642026198 3.81973235029825 H -1.68926609225738 -6.66236340176723 5.58229574731680 H -0.99971094647640 -5.86855325074849 4.15821243988947 H -3.64873372687315 -7.34057059091927 4.45715313844022 H -2.30524948563585 -7.76432455572169 3.36957660426734 H -6.84471639121583 -6.55484656714207 2.88655636408797 H -5.78034047583923 -7.09042656964690 4.19478314701135 H -5.03512832404938 -6.12008653646748 1.39879510540122 H -4.69250440427875 -7.72034357203039 2.10797100864041 H -2.14681390199934 -4.09617786732995 0.44700385874605 H -3.79946135286219 -4.70786213126473 0.26519761957974 H -1.59036938042299 -5.59958635196181 2.15074274363440 H -2.49160411273466 -6.59556674751464 0.98376789409583 C -3.87998156669564 -1.97084241044661 0.03837621376571 C -3.52903035458604 -2.13918417938559 1.52021875099305 C -2.21768207674175 -1.36368413563622 1.88251448107230 C -0.95393758035855 -2.06806770836787 1.49878961853823 C -0.36030655694055 -2.96632368507977 2.38843080159568 C 0.77600729589067 -3.67207754673058 2.03362461477526 C 1.35931914566303 -3.50188534070062 0.77695382703945 C 2.57002776503937 -4.27750213633089 0.38785486935075 Cl 4.09513377191730 -3.37805092471703 0.84269569739268 C 0.78894206414668 -2.57893585624433 -0.10032283959500 C -0.34693531965660 -1.87360691746278 0.25646141088327 C -7.77677471896397 -5.22321267205055 5.28297395409690 C -6.98872248916340 -4.38125357982623 4.27530502258281 C -7.87448914336357 -3.97688140222327 3.06500460576768 C -9.05263066708572 -3.13190270940578 3.45795484124315 C -10.34760469231226 -3.64771722885920 3.46226468693158 C -11.42694423117003 -2.87219757618103 3.85180876778547 C -11.24485926634981 -1.54892776951044 4.24807514011756 C -12.40393208786428 -0.71345918098691 4.67298801352555 Cl -12.69407161436362 -0.87453700359243 6.46948038329348 C -9.95143369908128 -1.02659859441244 4.24069055137233 C -8.87561964592428 -1.80365570143848 3.84796478074181 C -0.76386269021060 -4.42399949325697 6.69216618396768 C -2.24517914421062 -4.26130984293544 6.33556550666907 C -3.18006297941101 -4.72752652191056 7.49779414907968 C -3.27151933256011 -6.21171693168259 7.65751248043933 C -2.35231794749574 -6.93489175757511 8.42002168774004 C -2.41155381778194 -8.31571808239229 8.48532082340439 C -3.40708339383323 -9.02056878065023 7.80705294781082 C -3.45038980215255 -10.50759013368893 7.84472093615711 Cl -2.54509681855662 -11.20981292243022 6.41697955068407 C -4.35291702237738 -8.29843276225033 7.07828194106343 C -4.28439374141509 -6.91875823496826 7.00706672054329 H -4.80879281559858 -2.49776866202994 -0.18795080694252 H -4.03283858845266 -0.91412352561264 -0.18671940622396 H -3.09800616276550 -2.34711188848366 -0.62115331407754 H -4.32547108159974 -1.64495509446857 2.09481030207592 H -2.26289803932071 -0.37434355315109 1.41360076143565 H -2.23054005100400 -1.22393749594303 2.96981968170295 H -0.80980415412333 -3.11273214817399 3.36773711371012 H 1.22200434461603 -4.36881091712813 2.73473825182763 H 2.64313069601814 -4.42690868754042 -0.68989985279833 H 2.64041715928817 -5.23170818706187 0.91112999298148 H 1.23911602419343 -2.42191636497542 -1.07372357110463 H -0.77389061868843 -1.16003064628840 -0.43869602821152 H -8.64101369745500 -4.66436747029029 5.64439446917698 H -8.13713430632406 -6.15483128515043 4.84374574317479 H -7.14918955349291 -5.46400385273688 6.14207794796152 H -6.68245061827834 -3.45284682789923 4.77441849666739 H -7.22292044469148 -3.41915319289429 2.37901988723740 H -8.22539643320123 -4.87694266148726 2.54853859964572 H -10.51246173385653 -4.67315764702886 3.15184758386635 H -12.42514260358657 -3.29497940423779 3.84956744312768 H -12.23469851040303 0.35131649537018 4.50991254175793 H -13.33934595942058 -1.02716708336719 4.20847993338752 H -9.79239316290984 0.00168835917706 4.54445391757534 H -7.87864452643781 -1.37803454312285 3.84105504159730 H -0.53075152657683 -3.83335553450184 7.57945059274483 H -0.14196188653694 -4.05858410838291 5.87311961241398 H -0.49159987188501 -5.45920627216329 6.89555600951225 H -2.43388218427586 -3.18146833308985 6.24458377168994 H -4.17284195517445 -4.32108728333061 7.26882691152994 H -2.82279061854529 -4.26119706570398 8.42251381512976 H -1.58085740545063 -6.40661274783677 8.96777412163660 H -1.67852620378146 -8.86015933284278 9.06937224934036 H -4.46243870868695 -10.90292383789671 7.75359093106009 H -2.95434176408164 -10.92160141887622 8.72280061897327 H -5.14653451883372 -8.83009094589598 6.56472540655066 H -5.02230522281289 -6.36206404911267 6.43806835581492 N -4.22665376856250 -2.52521707253222 4.67929152258868 H -3.65827434285948 -1.69091528859900 4.87392325274717 94 energy: -132.573928237160 gnorm: 0.017546765799 xtb: 6.5.1 (b24c23e) N -3.53205623689255 -3.53418198746295 1.98704468218088 C -3.02191308057311 -4.47931747027646 1.01358307015929 C -2.58718456798831 -5.75932764696782 1.72429012750649 N -3.50809086805516 -6.05250049343403 2.81662464112860 C -4.76133579186228 -6.62487609918890 2.33051372187396 C -5.86460317352835 -6.35910739911772 3.35655120582085 N -5.73048063924540 -4.98971905462861 3.81992064515454 Mo -3.99722576291889 -4.09493862709793 3.81343558589516 N -2.63015546167338 -4.83085051324750 5.04853128626531 C -1.95944444492578 -6.06603021819453 4.70167512692056 C -2.87858564643068 -6.90728148381556 3.81621245306905 H -1.71393813835807 -6.66176201859409 5.58909277596967 H -1.00990040066765 -5.86281361280021 4.17311018625292 H -3.65828244383697 -7.33047368782159 4.45336722046162 H -2.31984500679159 -7.73758625355258 3.35473426467812 H -6.83668123582367 -6.54023369152536 2.87970550182422 H -5.77831142771953 -7.07233505372576 4.19460167462368 H -5.03033437304936 -6.11194748514751 1.40180290890139 H -4.66613536464853 -7.70305280451068 2.12206659013319 H -2.15550681786512 -4.08232535881324 0.46677183527096 H -3.80044598908647 -4.71122228643507 0.26393844537221 H -1.59888883270824 -5.58777009946739 2.15590582231304 H -2.51400857353850 -6.59433792707731 1.00924667191892 C -3.88255640079820 -1.97709937947524 0.04289738254471 C -3.54413220940962 -2.15564276136903 1.52889929445688 C -2.22380429151277 -1.38730756062932 1.88489666001668 C -0.96520307974442 -2.09044729829834 1.49456152047179 C -0.37130788154677 -2.98513530503394 2.38159899265814 C 0.76658769916614 -3.68058544468348 2.03004773203796 C 1.34931727652323 -3.50708905744680 0.77600307774633 C 2.56366169495749 -4.27481068731543 0.38898198569616 Cl 4.07380820898413 -3.36248924697075 0.85140152906350 C 0.78048721199683 -2.58277667466043 -0.09620060461965 C -0.35402140889890 -1.88363727296738 0.25921079664525 C -7.76746644435347 -5.22595932944206 5.27103366779070 C -6.97306531592927 -4.38010269611831 4.26738001107430 C -7.86995654612751 -3.97698096187125 3.06210187805592 C -9.04461976137320 -3.13540221815014 3.46747598526839 C -10.33617601978219 -3.65031404066384 3.47084442598741 C -11.41378750261030 -2.87550447304232 3.85278507873035 C -11.23387870105102 -1.55359962819158 4.24230675485464 C -12.39378547538193 -0.71853436904167 4.66589842126174 Cl -12.66864003389268 -0.89255226917197 6.45605266854018 C -9.94307109817169 -1.03425738893255 4.24016382643851 C -8.86916337906726 -1.81068257252651 3.85445778999138 C -0.76889616076509 -4.43034044270029 6.69015774416189 C -2.25027668676177 -4.26401837938963 6.32578892666208 C -3.17957918674666 -4.73577301857593 7.49376373930601 C -3.26349800283786 -6.21760494055726 7.64587382338553 C -2.34879622826808 -6.93747898970827 8.41109992157939 C -2.41213458177029 -8.31306618910412 8.48177789313311 C -3.40866040493198 -9.01693431661590 7.80943795721129 C -3.45359198873190 -10.50203434397309 7.84898197575416 Cl -2.54580338673738 -11.18667484027043 6.42116418485940 C -4.34751982177491 -8.29659609044866 7.07403432448170 C -4.27358064551049 -6.92222975536451 6.99573300152860 H -4.80584160563441 -2.50114024613750 -0.19210437628299 H -4.03126372060682 -0.92191575687476 -0.16818977404490 H -3.09250549914006 -2.34587581522173 -0.60331933858670 H -4.33687333913735 -1.65681769650011 2.10531180548940 H -2.27181437644932 -0.40626585065745 1.40953685369263 H -2.22850628184804 -1.25039682512186 2.96950874227026 H -0.82520035026155 -3.13241127431671 3.35562977198614 H 1.21929864658761 -4.36665101260343 2.72998781842168 H 2.63824830725179 -4.41911087588530 -0.68631537233980 H 2.63643092994049 -5.22559480359687 0.91194218535899 H 1.23516576442275 -2.41585724153040 -1.06072507762409 H -0.77546953710173 -1.16873331863573 -0.43058467170337 H -8.62272551172229 -4.65795442493035 5.62623116789171 H -8.13162926855710 -6.14802842032412 4.82736348178696 H -7.14500133410647 -5.46976793062069 6.12789908412615 H -6.66786060980569 -3.45518901350382 4.77091437526973 H -7.22763747107629 -3.41377330070360 2.37576333426388 H -8.22760442575732 -4.87395563383907 2.55406025061065 H -10.50407148780020 -4.67139938248519 3.16458195580383 H -12.40761733586069 -3.29636235612626 3.84769987209853 H -12.22290894548011 0.34323423535692 4.50439240137620 H -13.32542171302932 -1.03455201280739 4.20217815316749 H -9.78511077050319 -0.00965018859565 4.53975781583856 H -7.87661045120802 -1.38727761678304 3.84876046174517 H -0.54678776406851 -3.83463625778450 7.57097427750006 H -0.14727540177018 -4.06980431899844 5.87464153348156 H -0.50525449230506 -5.46133947173064 6.90074419853727 H -2.43821546981201 -3.18450226580829 6.23753063848616 H -4.17185066961156 -4.33432797738883 7.26560533170015 H -2.81520803219579 -4.27676707232499 8.41367673307988 H -1.58100605017649 -6.41176414423561 8.95699465418870 H -1.68502201329449 -8.85412882302062 9.06770852479265 H -4.46327262399611 -10.89457811712007 7.75462618001869 H -2.95752227808025 -10.91325398667810 8.72470189697836 H -5.13911187663965 -8.82710185643492 6.56612612808725 H -5.00505299934894 -6.36473454625207 6.42584331412300 N -4.15825172922199 -2.52250179972502 4.66276946328690 H -3.67009738154653 -1.64659838443904 4.88720439465264 94 energy: -132.575589668391 gnorm: 0.018022264212 xtb: 6.5.1 (b24c23e) N -3.55868214161677 -3.54197435662844 1.98134364262087 C -3.02965508134552 -4.47824065272822 1.01222759896888 C -2.59093106045323 -5.75201821189897 1.73386687493214 N -3.51287702311630 -6.03121152135179 2.82610560872950 C -4.75618412005386 -6.61210507588018 2.33155960144376 C -5.86223290340773 -6.34809935089475 3.35442649190322 N -5.72012763372085 -4.98160878080851 3.81690112357130 Mo -3.98932472277947 -4.07898004290911 3.81533382945983 N -2.63543953699252 -4.82861515900938 5.04994486958896 C -1.96810657145039 -6.06487819631024 4.71018760610443 C -2.88875176391608 -6.89674246293295 3.81646860935541 H -1.73607257873029 -6.66343067133911 5.59874555210095 H -1.01330396482337 -5.86715802207446 4.18972487957679 H -3.66718508525550 -7.32389320042208 4.45191522837436 H -2.33319753949207 -7.72162630963029 3.34379678164372 H -6.83274093635283 -6.52369474598841 2.87396090067896 H -5.78072684726780 -7.06158900197972 4.19204488786597 H -5.02792950238134 -6.10380815286506 1.40178864105265 H -4.64718818556602 -7.68892790692996 2.12856270454300 H -2.16133050183506 -4.07048008425353 0.47859894131105 H -3.79685635382098 -4.71844546357731 0.25378794964731 H -1.60109995946656 -5.57461679808962 2.15920124820589 H -2.52468836655839 -6.59599453672137 1.03016043410209 C -3.89195993894392 -1.97874308336683 0.04454954354733 C -3.56273111581958 -2.16667368294058 1.53269576859916 C -2.23618453643608 -1.40672854574384 1.88925618571165 C -0.98239116688722 -2.11244197259135 1.49322708724934 C -0.38790218682005 -3.00984628128589 2.37797000610016 C 0.75580755217773 -3.69562571276295 2.02869947055630 C 1.34030253134408 -3.51382126149104 0.77561923312925 C 2.56100180600231 -4.27097004145267 0.39052257588653 Cl 4.05881994767677 -3.34523091702383 0.86182283566828 C 0.77205469537503 -2.58572226879980 -0.09329253358949 C -0.36596919282128 -1.89273553841016 0.26158524974397 C -7.75776627908288 -5.22472391134431 5.26250487014866 C -6.95908520780962 -4.37470943643346 4.26342336884492 C -7.85961337522525 -3.97574126111096 3.05848028103327 C -9.03330076333212 -3.13764306133245 3.46889912980664 C -10.32340022280799 -3.65574536431733 3.47418123132199 C -11.40182982439608 -2.88069542924457 3.85248130758878 C -11.22231972909634 -1.55735790099092 4.23687370306744 C -12.38313178499926 -0.72394821126741 4.66207566490383 Cl -12.64887510739212 -0.90715187921233 6.44832800223750 C -9.93214119560971 -1.03724178250999 4.23945264608497 C -8.85744091051315 -1.81386435220219 3.85724331544299 C -0.77215933063543 -4.43275994308047 6.68897510967074 C -2.25357861780924 -4.26232394527928 6.32090473057224 C -3.18008130794210 -4.73784132709137 7.49214496617321 C -3.25949819095881 -6.21880443591305 7.63938216314114 C -2.34576385616089 -6.93743323620245 8.40765727237373 C -2.41211983453009 -8.31224910917399 8.48229956187464 C -3.41061711164903 -9.01550986063027 7.81179292142040 C -3.45545505424007 -10.49986277819116 7.85093821493078 Cl -2.54455530316493 -11.17600180433785 6.42385723644525 C -4.34505429459177 -8.29673729419839 7.06827153432802 C -4.26738810702191 -6.92357449043491 6.98505939152508 H -4.81016987247783 -2.50510786953623 -0.20204032058634 H -4.03990640744796 -0.92236736930313 -0.15748293778056 H -3.09176425235684 -2.34112836584077 -0.59202524654388 H -4.35182674847343 -1.66318007312470 2.10986765600099 H -2.28305137803578 -0.42685726684604 1.41408744375105 H -2.23685209797833 -1.27678698080408 2.97390057653632 H -0.84602405032348 -3.16048870482325 3.34928684759742 H 1.21392591207275 -4.37866500846000 2.72748729294360 H 2.63921126016641 -4.41078002057249 -0.68485065910707 H 2.63834711338465 -5.22201954152772 0.91172964146076 H 1.23139559682112 -2.41010388142417 -1.05384464978300 H -0.78377179083276 -1.17219098163141 -0.42397746426107 H -8.60921831107561 -4.65148750534560 5.61660269466337 H -8.12564493092607 -6.14040318010784 4.81004868346484 H -7.13741951092537 -5.47725565576622 6.11782677099753 H -6.65964575928804 -3.44939022263245 4.76967905697430 H -7.22388240783173 -3.41085966896571 2.36882317694924 H -8.21953907379382 -4.87393680330441 2.55659169414376 H -10.49161947406005 -4.67815888259141 3.17405002576784 H -12.39495091737165 -3.30206474220701 3.84719682109672 H -12.21198557907483 0.33750939870710 4.50059128471034 H -13.31309170036958 -1.04132628305842 4.19649388442325 H -9.77506268089506 -0.01273335127209 4.53823176527258 H -7.86476644319759 -1.39163110777778 3.85515664927696 H -0.55407075008981 -3.83156417559133 7.56637037984529 H -0.14739913344890 -4.08089085375471 5.87268946874080 H -0.51724187477435 -5.46381849301338 6.90753933287141 H -2.43995885184630 -3.18284660294789 6.23634240948978 H -4.17349621932980 -4.33940968473199 7.26695781251414 H -2.81077494058857 -4.28299062833442 8.41062276138638 H -1.57702280965919 -6.41199877199930 8.95161137207971 H -1.68739508396191 -8.85305622714984 9.07086704383548 H -4.46496839537709 -10.89153707293611 7.75441983448431 H -2.96073511417106 -10.91023411051077 8.72747055183833 H -5.13576875099428 -8.82855603561639 6.56121620515711 H -4.99314956437513 -6.36491265546100 6.40971990800066 N -4.10303837060259 -2.50326875064721 4.64222736971708 H -3.68163124196423 -1.60404204349676 4.91274581074936 94 energy: -132.577015091573 gnorm: 0.017393684772 xtb: 6.5.1 (b24c23e) N -3.59192126669707 -3.54803892638392 1.96690489851995 C -3.03804355165562 -4.47809675075022 1.00624580738506 C -2.59197305386222 -5.74206911725319 1.74070681295038 N -3.51603840860402 -6.01442983109932 2.83334871257200 C -4.75396862001925 -6.59982861133724 2.33094694488488 C -5.85876679671511 -6.33708206739175 3.35193015208148 N -5.70673295564816 -4.97526573964129 3.82280282890786 Mo -3.97880225846901 -4.05770464709135 3.81506917638308 N -2.64052132901510 -4.82742187593420 5.05370274379486 C -1.97694420659830 -6.06690229199695 4.72045729340169 C -2.89656076863070 -6.88940014649745 3.81883664333053 H -1.76095491964893 -6.66657441746644 5.61246691397805 H -1.01402703928855 -5.87734118863386 4.21176594972597 H -3.67666022318873 -7.32001518894778 4.45007734854975 H -2.34529060323991 -7.71013360292679 3.33549444591546 H -6.82965157817058 -6.50062615397709 2.86788492092787 H -5.78682319029438 -7.05572791364601 4.18582192763034 H -5.02576568192600 -6.09329810177329 1.40070179763071 H -4.63310182344965 -7.67468233581936 2.12950476694103 H -2.16815806189959 -4.05636317406224 0.48726805458368 H -3.78933579037975 -4.72939851956919 0.23559293321217 H -1.60215185531138 -5.55612734041400 2.16331467897159 H -2.52651638684148 -6.59722074539043 1.05119964705536 C -3.90830642256407 -1.97692307648947 0.04003242158250 C -3.58866744112787 -2.17359112267959 1.52936970918316 C -2.25514202536332 -1.42804558171689 1.89477174640650 C -1.00396052527106 -2.13500359730609 1.49514879529141 C -0.41069926873151 -3.04108623502906 2.37521429499023 C 0.73803653533890 -3.71905353236340 2.02642849250486 C 1.32741746029224 -3.52381358449552 0.77511205805862 C 2.55896016917147 -4.26405488732546 0.39348494501892 Cl 4.04375728916426 -3.32177268482564 0.87734543565658 C 0.75983107943635 -2.58944543500059 -0.08933288923375 C -0.38131611272597 -1.90110314761308 0.26684865930561 C -7.74725047934968 -5.22023971939536 5.25690100623008 C -6.94355226226358 -4.36685682647280 4.26337634640413 C -7.84192139809844 -3.97302061669450 3.05486619895737 C -9.01638370530599 -3.13854738444137 3.46554804949316 C -10.30511268888102 -3.66200828543166 3.47390069277044 C -11.38540704127316 -2.88745002756693 3.85079880700414 C -11.20640862172554 -1.56193499075064 4.23091811760656 C -12.36868054200663 -0.73152869334177 4.65949098379319 Cl -12.62949369389064 -0.92228851302594 6.44244459070365 C -9.91677492380042 -1.03876558488362 4.23749471669046 C -8.84020891121676 -1.81485984186117 3.85677939406134 C -0.77499962504763 -4.43436582242095 6.68916973411696 C -2.25645549388895 -4.25904013502074 6.32028800051740 C -3.18118022126534 -4.73720481183108 7.49398867864115 C -3.25844003750262 -6.21803980688387 7.63785306683971 C -2.34502882494242 -6.93656988060635 8.40910877793006 C -2.41300548996737 -8.31197587586029 8.48542634683347 C -3.41254625009585 -9.01474729333170 7.81366495214551 C -3.45702117569718 -10.49878233884641 7.85177956395678 Cl -2.54157795421543 -11.17257728728597 6.42701536006845 C -4.34284445825262 -8.29712516272259 7.06131392384314 C -4.26323450735904 -6.92390394660711 6.97618593004325 H -4.81999972467752 -2.50906499198480 -0.22095205439139 H -4.06020378810707 -0.91907734248336 -0.15400414470332 H -3.09676971207080 -2.32992698455740 -0.58905277787215 H -4.37505542739896 -1.66622467320582 2.10649164589354 H -2.29667839821797 -0.44408364685243 1.42736860290641 H -2.25745726879720 -1.31141628890776 2.98123797627006 H -0.87654491115102 -3.20098320559958 3.34255960855553 H 1.20014450326856 -4.40364838078652 2.72268867821924 H 2.64499959160632 -4.39825684748338 -0.68277857542680 H 2.64510336437892 -5.21734925563383 0.91069712983851 H 1.22570909703383 -2.40234652234319 -1.04602076936602 H -0.79726596666300 -1.17379470270757 -0.41431422860891 H -8.59562588070477 -4.64394398232464 5.61492223205321 H -8.12092369959980 -6.12895675014066 4.79272400707628 H -7.12792873115299 -5.48739968958095 6.10959128624274 H -6.65291761567253 -3.43887074134926 4.77158568973226 H -7.21015764125502 -3.40904006016335 2.36109062229610 H -8.20106919763964 -4.87420042341614 2.55723305711328 H -10.47128395307674 -4.68776954092989 3.18012144743223 H -12.37871178333526 -3.31102144863283 3.84781848454077 H -12.19894283341565 0.33095062097504 4.49800539193583 H -13.29777798168186 -1.04944471436515 4.19069446169071 H -9.76116046689544 -0.01346248488764 4.53805078035111 H -7.84596159601422 -1.39316499200924 3.85881813755541 H -0.55494744623826 -3.82528176227045 7.56157247379744 H -0.14613423681380 -4.09564456051323 5.86930180135148 H -0.52862232713016 -5.46615691501194 6.91880678074491 H -2.44032187926674 -3.17945196963231 6.23875770074923 H -4.17623464735993 -4.33977347585497 7.27339076113586 H -2.80796285667456 -4.28482303561690 8.41229931932414 H -1.57445319157010 -6.41054713987648 8.95205728585787 H -1.68983631112609 -8.85386286553245 9.07702268883950 H -4.46694432899373 -10.89086487632323 7.75282522676514 H -2.96533320758329 -10.90962415958631 8.73073821219864 H -5.13073399802558 -8.83132885687369 6.55009516139788 H -4.98195980356573 -6.36378304920278 6.39181565426118 N -4.03323028304743 -2.47578197419675 4.61304975905748 H -3.69340152338220 -1.56024289200597 4.94167517843449 94 energy: -132.577960006894 gnorm: 0.011642872467 xtb: 6.5.1 (b24c23e) N -3.62227347525147 -3.55204978281585 1.95011159030858 C -3.04660670733515 -4.47910016100777 0.99810439430515 C -2.59067128629427 -5.73275279521369 1.74272501232129 N -3.51643096430114 -6.00648839359816 2.83592756873643 C -4.75451899038308 -6.59135013010544 2.32921636172770 C -5.85553911155820 -6.33010544536761 3.35054634759099 N -5.69401778939795 -4.97320891480206 3.83526293909139 Mo -3.96809540798535 -4.03938659130334 3.81660003940388 N -2.64508160093754 -4.83014443914265 5.06060136420504 C -1.98341988580239 -6.07206707673638 4.72935935366517 C -2.89931580302820 -6.88746363907735 3.82055928620707 H -1.77870935344723 -6.67221967671779 5.62409016538748 H -1.01388123368622 -5.88765190030994 4.23099611827924 H -3.68339725678463 -7.32076006428529 4.44561430056372 H -2.34994189987967 -7.70606653362068 3.33179208441865 H -6.82817828866761 -6.47982144496665 2.86446948896720 H -5.79301726603244 -7.05722248968695 4.17824634281675 H -5.02396826849197 -6.08250794243329 1.39968092128907 H -4.62981451041623 -7.66469956017593 2.12464786139638 H -2.17677553507876 -4.04541109487371 0.48898579474454 H -3.78345036611459 -4.74163026779947 0.21735235070813 H -1.60298036145938 -5.53694985972019 2.16726107197329 H -2.51789185265016 -6.59527390388658 1.06307097113786 C -3.92440942129337 -1.97301009522214 0.02887275059562 C -3.61164113166270 -2.17650744704882 1.51801250811079 C -2.27480012286063 -1.44364290072578 1.89759949249779 C -1.02397030584382 -2.15092230886924 1.49783087487876 C -0.43352978744448 -3.06704568554932 2.37249683076286 C 0.71834102312797 -3.74036012147640 2.02357651270221 C 1.31551103337156 -3.53088344227010 0.77598029862141 C 2.55626636297307 -4.25607352536225 0.39754735140362 Cl 4.03021842392592 -3.29842801496475 0.89500471387836 C 0.74897266364374 -2.59026307771083 -0.08386605855336 C -0.39514424774428 -1.90601779122788 0.27305512979043 C -7.73987633349293 -5.21460021555040 5.25689072481334 C -6.93110148376883 -4.36100095812352 4.26788065290036 C -7.82166626701425 -3.96928534898317 3.05321079437547 C -8.99822503198371 -3.13699945392320 3.45951718613190 C -10.28562232168058 -3.66532560583539 3.46977349923530 C -11.36784386116273 -2.89285340056720 3.84833858766531 C -11.19024680756627 -1.56623476848411 4.22775593044866 C -12.35439755479446 -0.73907514095807 4.65861620159517 Cl -12.61608653528940 -0.93422681996467 6.44007454933247 C -9.90160014029307 -1.03890856798143 4.23500981499837 C -8.82305601501761 -1.81297338057704 3.85297288857504 C -0.77655927793666 -4.43651767137573 6.69171029135546 C -2.25808291131771 -4.25839878117573 6.32572726216716 C -3.18239669232435 -4.73506323483962 7.50051786749293 C -3.26066335313038 -6.21640345920595 7.64309598170548 C -2.34831941960484 -6.93591843690649 8.41622210044381 C -2.41572680792732 -8.31241836579943 8.49048948939772 C -3.41315402299370 -9.01481107395086 7.81353719060562 C -3.45809129381797 -10.49888214396508 7.85135955666005 Cl -2.53748236298623 -11.17650431668364 6.43015704421873 C -4.34020651335090 -8.29705708246624 7.05571875954478 C -4.26170437421551 -6.92298857135222 6.97359619353607 H -4.83059715791398 -2.51137162283531 -0.24210470732942 H -4.08394026431294 -0.91451851400335 -0.16088074211435 H -3.10630587201742 -2.31674195158967 -0.59834867456637 H -4.39739202850936 -1.66667543132293 2.09353022042949 H -2.30815601792223 -0.45174213981571 1.44384933783971 H -2.28551376208045 -1.34408982396927 2.98681686807726 H -0.90711732238657 -3.23765396417790 3.33578960716753 H 1.17829761330102 -4.43287752602790 2.71523462037821 H 2.65200067271188 -4.38399403623672 -0.67958028570453 H 2.65224191314756 -5.21195739237621 0.91003578633037 H 1.21921014704295 -2.39499975639842 -1.03804750504246 H -0.81031931608994 -1.17286667974599 -0.40408703115064 H -8.58503331636754 -4.63682281644541 5.62256281311871 H -8.12063619570448 -6.11758198250675 4.78442572546456 H -7.12010041377604 -5.49554878718400 6.10608777485668 H -6.64629992253313 -3.43055967960309 4.77699143779961 H -7.18786721278881 -3.40738033532675 2.35894737189735 H -8.17766977957374 -4.87226797168035 2.55465698492781 H -10.44791630195797 -4.69354057402997 3.17811510412465 H -12.36120589693869 -3.31923036235121 3.84830567971663 H -12.18697562947403 0.32483479866339 4.49785887039465 H -13.28298197525021 -1.05701756165583 4.18664330332668 H -9.74812628959215 -0.01278077101845 4.53799737689612 H -7.82773272203156 -1.39048719308599 3.85646470077460 H -0.54952108556622 -3.81936406416322 7.55803735268743 H -0.14661891335215 -4.10988440445723 5.86637000084013 H -0.53425460945188 -5.46812534889014 6.93141662725580 H -2.44010033252078 -3.17885222793424 6.24345982119156 H -4.17828332857550 -4.33617986151689 7.28340175434498 H -2.80758540638370 -4.28288778896384 8.41939004925436 H -1.57773690780227 -6.40925959577251 8.96097542319234 H -1.69338683334765 -8.85585481128273 9.08380838880866 H -4.46844261787410 -10.89156382130607 7.74959966830010 H -2.97046796446299 -10.91063936062492 8.73326215715142 H -5.12386856322975 -8.83289888595921 6.53715265962694 H -4.97540587763973 -6.36176793120420 6.38245790519760 N -3.97139802630203 -2.44889869579747 4.58584190196375 H -3.70144437601089 -1.53115681065909 4.95282395143823 94 energy: -132.578549720611 gnorm: 0.014778571715 xtb: 6.5.1 (b24c23e) N -3.64556406468745 -3.55352240300192 1.93279554682776 C -3.05541396793831 -4.48071455298354 0.98917656978868 C -2.58865715856777 -5.72588050403548 1.74046189626187 N -3.51376040096102 -6.00718076136372 2.83394527595993 C -4.75519458953607 -6.58752366252214 2.32682710631367 C -5.85153426554816 -6.32718620094716 3.35079542564407 N -5.68136321443050 -4.97481389809856 3.84867829402957 Mo -3.95340986959081 -4.03175613508442 3.81548488619558 N -2.64968106846801 -4.83719104988734 5.07024272074341 C -1.98737837259217 -6.07895068970311 4.73635272766106 C -2.89751632549572 -6.89003863203087 3.81992151496114 H -1.78773807220129 -6.68087086330024 5.63116708396750 H -1.01440346088368 -5.89429072600451 4.24490269164289 H -3.68600921196912 -7.32623531112785 4.43785235571317 H -2.34605653360669 -7.70714993356756 3.33078965212103 H -6.82646581054501 -6.46467200697370 2.86531175565334 H -5.79529287296017 -7.06262336397667 4.17199253088414 H -5.02245216918095 -6.07352419955514 1.39951989655875 H -4.63398560937269 -7.66020576749262 2.11647506797452 H -2.18825491299785 -4.03892250210406 0.48267471175971 H -3.78293914739523 -4.75384333407677 0.20401613921715 H -1.60438505120782 -5.51936261510169 2.16876540000394 H -2.50356447907353 -6.59088559233342 1.06493960561846 C -3.93736234416472 -1.97017375484468 0.01275971738052 C -3.62969405927894 -2.17653412489940 1.50147869232102 C -2.29275875456829 -1.45286794148839 1.89608614773672 C -1.04038177978099 -2.15868897638776 1.49896822878204 C -0.45443626083935 -3.08357836411438 2.36855842030905 C 0.69802496927690 -3.75575702273584 2.01959244802472 C 1.30427132904856 -3.53418123792179 0.77763659139333 C 2.55161150838795 -4.24794297374482 0.40269564997373 Cl 4.01719964867694 -3.27865656608920 0.91362555683719 C 0.74003385252460 -2.58818160573258 -0.07805744294490 C -0.40586736178696 -1.90675672063018 0.27834574275994 C -7.73423333964801 -5.20890629585358 5.26087934713533 C -6.91945535009561 -4.35807306853538 4.27523471508739 C -7.79980369944936 -3.96361409342991 3.05426413797748 C -8.97911957700010 -3.13247325437456 3.45400885689974 C -10.26498139871942 -3.66440528068964 3.46392950980240 C -11.34897459282351 -2.89548649329661 3.84546224881137 C -11.17412904152890 -1.56922185736073 4.22727496198591 C -12.34051134476421 -0.74543000177035 4.65898406457374 Cl -12.60655136964209 -0.94343354890923 6.44008586725169 C -9.88722586280761 -1.03743983445820 4.23233593111266 C -8.80681300716790 -1.80805542518553 3.84772388124950 C -0.77746114529907 -4.44093528955461 6.69658278812224 C -2.25908468979558 -4.26158670568117 6.33528912442490 C -3.18323338369744 -4.73320962628789 7.51075280649515 C -3.26450675530452 -6.21523639756932 7.65319266559962 C -2.35473641649583 -6.93614473425190 8.42747753346079 C -2.42028454626358 -8.31350989014089 8.49695291986416 C -3.41282311916574 -9.01525684657253 7.81222102900351 C -3.45924477064075 -10.49956260198425 7.85036010636229 Cl -2.53330512798682 -11.18306614762585 6.43363170296220 C -4.33697349751255 -8.29620810707093 7.05246414376060 C -4.26137202444321 -6.92118580807766 6.97655552702872 H -4.83955285354862 -2.51350892591661 -0.26307677934655 H -4.10517107273785 -0.91208236584999 -0.17547512891849 H -3.11682091876555 -2.30608713772539 -0.61587079793176 H -4.41733478383823 -1.66602853553076 2.07396317553530 H -2.31836475219023 -0.45288021642848 1.45754492793108 H -2.31503359096013 -1.37066538779291 2.98757701684356 H -0.93449400821655 -3.26339450302143 3.32791043152734 H 1.15151437252268 -4.45839191413601 2.70627069367648 H 2.65726056571464 -4.36931731230140 -0.67455843257335 H 2.65596929300546 -5.20544054892990 0.91092487292787 H 1.21374899173291 -2.38704485955581 -1.02957607597626 H -0.82037016508020 -1.16984532170733 -0.39562025130615 H -8.57474591209374 -4.62864057486198 5.63470712374238 H -8.12357965705281 -6.10685307996838 4.78485190265767 H -7.11401230870025 -5.50067428178490 6.10652090338207 H -6.63568359280915 -3.42701437053097 4.78519027420746 H -7.15867226352430 -3.40279164011078 2.36503216677729 H -8.15191381369894 -4.86565362579859 2.54991387797536 H -10.42279926873474 -4.69296757449414 3.16974757477987 H -12.34155736996275 -3.32467229097990 3.84723895494563 H -12.17555987677830 0.31960309492173 4.50046149429174 H -13.26832021715810 -1.06358092728612 4.18473205677220 H -9.73657036821384 -0.01094527835502 4.53686702890721 H -7.81199522152623 -1.38325028763470 3.84940437118096 H -0.54193858607471 -3.81693547694144 7.55645749995767 H -0.14997629248234 -4.12313329549667 5.86546075684620 H -0.53567148349735 -5.47123560441440 6.94386069841945 H -2.43961523598920 -3.18209146944946 6.24852042016596 H -4.17888355956844 -4.33152256179856 7.29556309546367 H -2.80786470304144 -4.28037106472288 8.43000287432179 H -1.58705827585409 -6.40949516329417 8.97726580703138 H -1.69933746170142 -8.85820163337854 9.09145171818549 H -4.46965500330611 -10.89205988918685 7.74485900607618 H -2.97603034995909 -10.91199453697534 8.73480939698398 H -5.11586377561968 -8.83203717857759 6.52576118056688 H -4.97247893528613 -6.35934008004464 6.38262083309199 N -3.93123003991198 -2.43749916474387 4.56412163975984 H -3.73805756312429 -1.50798871265286 4.95688821407356 94 energy: -132.578867743422 gnorm: 0.011860573290 xtb: 6.5.1 (b24c23e) N -3.66111472527372 -3.55514071309263 1.92176432647213 C -3.06560057114073 -4.48334097126564 0.98204556800798 C -2.58692297728508 -5.72219738443015 1.73511689910225 N -3.50993366253577 -6.01301086656318 2.82902698939372 C -4.75608932504314 -6.58833665442738 2.32446804496324 C -5.84808077149880 -6.33067972888353 3.35307919684104 N -5.67406330707923 -4.98186065299735 3.86143509537199 Mo -3.94790263362267 -4.02899162372399 3.81829785608095 N -2.65874253246255 -4.84652285814225 5.08012404244430 C -1.99051739419765 -6.08487613702749 4.74018444315901 C -2.89268203983425 -6.89551274941532 3.81664440589862 H -1.78912594503867 -6.69048664940981 5.63227074901148 H -1.01713290311140 -5.89401337426764 4.25190199023440 H -3.68488387971240 -7.33589136271818 4.42728525653595 H -2.33474126566286 -7.71075520130681 3.33043551914803 H -6.82504849583826 -6.46072686791370 2.87025287679517 H -5.79298200675890 -7.07261994384721 4.16872223799083 H -5.02256265799081 -6.06769793205021 1.40044189162498 H -4.64168928491930 -7.66111464681585 2.10656069728036 H -2.20299983617584 -4.03779098492360 0.47069663867912 H -3.79024910520700 -4.76544606880695 0.19827899917387 H -1.60646217915461 -5.50502074838015 2.16766373928906 H -2.48735782981857 -6.58545505989821 1.05815344783757 C -3.94616509782610 -1.97184015051410 -0.00409893913502 C -3.64293256260763 -2.17676039473264 1.48488380346485 C -2.30968845968353 -1.45587252828673 1.89135947505016 C -1.05452345662597 -2.15882691869212 1.49798374614391 C -0.47365301239917 -3.08997708684189 2.36391903909444 C 0.67843104427568 -3.76333404582625 2.01554338432747 C 1.29394924519162 -3.53256480311083 0.78008230456614 C 2.54520299900239 -4.23908261338647 0.40910994101232 Cl 4.00513759163364 -3.26255370942822 0.93344498708898 C 0.73332853790176 -2.58185259478262 -0.07256242074674 C -0.41443178641904 -1.90270881225975 0.28167167490467 C -7.73137429829469 -5.20452490568179 5.26787222445075 C -6.91117406130435 -4.35802803010256 4.28475624972703 C -7.77760049350112 -3.95556660755307 3.05692151294084 C -8.95966511154261 -3.12498380987475 3.44914033342283 C -10.24395422468276 -3.66010171246882 3.45698816733771 C -11.32995991909129 -2.89571375501125 3.84174435111028 C -11.15901419116628 -1.57044829652271 4.22811268053279 C -12.32779328464785 -0.75070388893337 4.66026356289767 Cl -12.59988399470614 -0.95177180572653 6.44235341819298 C -9.87419271254444 -1.03371774490010 4.22945085185600 C -8.79157974502989 -1.79992391262229 3.84194658794727 C -0.77989894406562 -4.44775205342340 6.70167117497590 C -2.26180132715699 -4.26741379032669 6.34618881386341 C -3.18426438879197 -4.73192924198056 7.52292444187321 C -3.26924647654045 -6.21480516987884 7.66611287684440 C -2.36311536418185 -6.93711626573713 8.44182969331734 C -2.42635686505326 -8.31540018808129 8.50545518999744 C -3.41222336118124 -9.01629642850913 7.81106251955630 C -3.46008078715680 -10.50105654425694 7.84878996756438 Cl -2.52828434407387 -11.18983857168296 6.43660159786455 C -4.33371362482027 -8.29532752255677 7.05134085196704 C -4.26180071274989 -6.91907688321454 6.98289801811685 H -4.84610609708821 -2.51845209554595 -0.28183681751432 H -4.12060703689119 -0.91455137060105 -0.19393163710145 H -3.12542678375190 -2.30228958195740 -0.63552429123599 H -4.43479256501205 -1.66619691192991 2.05191846667687 H -2.33014382042289 -0.44955793069273 1.46583904016767 H -2.34299075005757 -1.38745430011931 2.98404582271577 H -0.95806490657166 -3.27606701204129 3.32031601391671 H 1.12346302839321 -4.47572741427436 2.69832093766590 H 2.66018465918359 -4.35410747655227 -0.66772794890143 H 2.65487908645606 -5.19744476642290 0.91393699512182 H 1.21080925868666 -2.37605151095117 -1.02110171771077 H -0.82755172786735 -1.16300678849948 -0.39008178436464 H -8.56587080460631 -4.61976118147361 5.64914912864241 H -8.13049833092070 -6.09790527455337 4.79118794809397 H -7.11059524982798 -5.50477108605329 6.11023496080987 H -6.62230762506985 -3.42891214861826 4.79600133853453 H -7.12470226905403 -3.39389787599918 2.37832423451207 H -8.12533562045654 -4.85404477134703 2.54215305786513 H -10.39685702388127 -4.68791116939297 3.15746260832870 H -12.32123755261531 -3.32799581017263 3.84375773327326 H -12.16536708390889 0.31529382846833 4.50549726279595 H -13.25452748346135 -1.06955543989391 4.18436556209638 H -9.72693838636834 -0.00688004798048 4.53458880920041 H -7.79828972744143 -1.37146744039047 3.84022711905569 H -0.53611656416676 -3.81920777988003 7.55627994282142 H -0.15620331371558 -4.13533135417809 5.86559489172285 H -0.53658022194411 -5.47658888510053 6.95404330993817 H -2.44069046165565 -3.18780021496351 6.25311896963029 H -4.17935131693430 -4.32716471534697 7.30975283724598 H -2.80791732732192 -4.27824704358605 8.44223888969264 H -1.60037826425846 -6.41093005546960 8.99920940997756 H -1.70738853587031 -8.86101046820643 9.10144822205646 H -4.47036960683115 -10.89257345104320 7.73859982062568 H -2.98155491829025 -10.91385576353904 8.73559132596789 H -5.10813393483152 -8.82974821784750 6.51653663274565 H -4.97226559082701 -6.35721797647811 6.38875005397058 N -3.90286758444791 -2.42064246540301 4.54412908217702 H -3.75502302714438 -1.50574506474844 4.93973777531832 94 energy: -132.579200415533 gnorm: 0.012280818271 xtb: 6.5.1 (b24c23e) N -3.66997483490555 -3.55758839528876 1.91301552067300 C -3.07393119724069 -4.48665342013889 0.97552050260020 C -2.58696066654187 -5.72160714978575 1.73073688699085 N -3.50694746289306 -6.01737653902004 2.82507538415312 C -4.75474812760378 -6.59069979156513 2.32301057283200 C -5.84337320103201 -6.33446718866435 3.35628133441592 N -5.66392465619156 -4.98788047844252 3.86746603382974 Mo -3.93772902865816 -4.03069706424090 3.81689477135421 N -2.66606970779018 -4.85578992560842 5.08745993115392 C -1.99200988548186 -6.08948403063167 4.74217819252684 C -2.88852432439821 -6.89973475139514 3.81178227326553 H -1.78825352947367 -6.69980677279268 5.63064777481276 H -1.01944748893913 -5.89095833004629 4.25516800249488 H -3.68132709358613 -7.34526394609965 4.41771772297674 H -2.32401351553220 -7.71190170278536 3.32716077667537 H -6.82195581059474 -6.46113552391630 2.87692688520801 H -5.78630496138461 -7.07898263430125 4.16921985255416 H -5.02368547989804 -6.06622089861354 1.40200751903637 H -4.64491023984052 -7.66361891655334 2.10082555648296 H -2.21506511333943 -4.04035098868665 0.45819581779308 H -3.79982443237387 -4.77572909975749 0.19572377658473 H -1.60871071554520 -5.49631535634628 2.16390251570454 H -2.47879909932818 -6.58312044157585 1.05214831111121 C -3.95130702480338 -1.97674792514318 -0.01779010741258 C -3.65212247763158 -2.17948022826192 1.47231052452247 C -2.32290790055452 -1.45706246614822 1.88537432519787 C -1.06621379248287 -2.15783866422896 1.49424156374994 C -0.48962628977860 -3.09201792109578 2.35840413204379 C 0.66272354116265 -3.76542396679249 2.01191255306518 C 1.28499798357000 -3.52918039405427 0.78166775606242 C 2.53826639346603 -4.23226471754129 0.41434876072742 Cl 3.99372364845296 -3.25235533662585 0.95003577880349 C 0.72860096932033 -2.57456273766790 -0.06889705679355 C -0.42073112857018 -1.89759143025297 0.28224150342275 C -7.72643354208835 -5.20130895049167 5.27136825168954 C -6.89911259392781 -4.35913756840595 4.29075948355889 C -7.75727270203750 -3.94678001307498 3.06013409901455 C -8.94131183902872 -3.11720260481362 3.44822948543702 C -10.22418187856852 -3.65471370357043 3.45342879493996 C -11.31199567829838 -2.89415564564775 3.83892773694623 C -11.14507337392563 -1.56963046534989 4.22818231841322 C -12.31597120137645 -0.75370163722073 4.66109204675322 Cl -12.59063671795308 -0.95962308080386 6.44344482150370 C -9.86222091547674 -1.02915554650754 4.22743030503378 C -8.77765721580225 -1.79162687862323 3.83924198680378 C -0.78258447455232 -4.45536179726070 6.70546558159851 C -2.26469280248575 -4.27373966556804 6.35283462622566 C -3.18484297360753 -4.73250053938743 7.53189167942540 C -3.27194951674652 -6.21567506026148 7.67533486229203 C -2.37004563060851 -6.93852664299542 8.45378303871501 C -2.43243918355616 -8.31686603264871 8.51383129793348 C -3.41297420338991 -9.01675658134288 7.81214553311183 C -3.46153404700884 -10.50185339530772 7.84828894786391 Cl -2.52467067442563 -11.19055886416715 6.43952547402712 C -4.33121355107707 -8.29449052179542 7.05122113504559 C -4.26085566147241 -6.91796179352880 6.98700760335758 H -4.84920894360460 -2.52558536356114 -0.29688309448551 H -4.12905265257588 -0.92040471480604 -0.20870763618011 H -3.12921868903014 -2.30405317099258 -0.64853959199766 H -4.44781354633079 -1.66949658935239 2.03491563403409 H -2.34230042359386 -0.44873519018311 1.46623561094274 H -2.36223108539899 -1.39659401342401 2.97795415488580 H -0.97706313771653 -3.28083078041814 3.31252942323048 H 1.10201739208910 -4.48258945327635 2.69270447478572 H 2.66025791242528 -4.34215508672891 -0.66169708587867 H 2.64951453015328 -5.19080784981782 0.91703449755962 H 1.21020172114193 -2.36457158204104 -1.01386790647316 H -0.83101757481099 -1.15560772893853 -0.38792831630549 H -8.55453745181109 -4.61022968333301 5.65624656488191 H -8.13463866328482 -6.08967857037176 4.79406742850766 H -7.10732909580076 -5.50858594349294 6.11197321357446 H -6.60501321947349 -3.43328007281594 4.80476756660806 H -7.09590577751631 -3.38204359506094 2.39196789527366 H -8.10213945617572 -4.84087863191007 2.53633637230380 H -10.37384460873368 -4.68139226114735 3.15028028081201 H -12.30159560095790 -3.32891655699093 3.83973550267027 H -12.15558470055855 0.31275465647064 4.51052869593693 H -13.24144570615884 -1.07360951799575 4.18451398393363 H -9.71810331305313 -0.00226100091391 4.53189600155906 H -7.78646530092563 -1.35980965390300 3.83523362859392 H -0.53522297694788 -3.82387090768367 7.55625977670151 H -0.16126291821678 -4.14680889884633 5.86677575017765 H -0.54000761763947 -5.48308800063008 6.96157874247788 H -2.44176031798074 -3.19393031031378 6.25436111463212 H -4.17949955574065 -4.32610536870198 7.32104918994633 H -2.80587589235954 -4.27911763765930 8.45014420179255 H -1.61177177493103 -6.41336809483087 9.01725670571988 H -1.71626361380654 -8.86268205458754 9.11193526961716 H -4.47130934724471 -10.89213458646805 7.73330563312316 H -2.98673663373557 -10.91494719429191 8.73637279563633 H -5.10250709521981 -8.82710242983419 6.51134414782320 H -4.97023040130441 -6.35611676067584 6.39260585738810 N -3.90044029608502 -2.42162009973928 4.53274249617594 H -3.82676113924633 -1.48764817788943 4.94925326170508 94 energy: -132.579435358932 gnorm: 0.009148499291 xtb: 6.5.1 (b24c23e) N -3.66344090692729 -3.55787804514231 1.91552989525799 C -3.07609533345430 -4.48894892298446 0.97553801336235 C -2.58914802835704 -5.72568344906216 1.72883973892601 N -3.50690491592542 -6.02209127545324 2.82322064758895 C -4.75428633388230 -6.59620075086898 2.32388767894253 C -5.84197854147323 -6.33979484431915 3.35989651051471 N -5.66225433546662 -4.99227190332765 3.86566710675968 Mo -3.93816839647510 -4.03702625555910 3.81513838921124 N -2.66907840656000 -4.85863589481603 5.08752062078656 C -1.99085673735047 -6.08854035366709 4.73914716424174 C -2.88601935143635 -6.90203850467090 3.80874201668666 H -1.78177746645424 -6.70096697503175 5.62500672783066 H -1.02097896579445 -5.88358873739774 4.24919092501267 H -3.67561577297917 -7.35106177392431 4.41567241017738 H -2.31767363508297 -7.71172489226562 3.32433231107177 H -6.82117937723158 -6.47124817951019 2.88346603264596 H -5.77924075744769 -7.08148719346251 4.17467306939077 H -5.02709043260971 -6.07228966201257 1.40389378957042 H -4.64468694692477 -7.66920679397780 2.10207945752748 H -2.21857164022879 -4.04733742811983 0.45142632063174 H -3.80925646922389 -4.77706904966167 0.20168259943255 H -1.61020859539934 -5.50090107825444 2.15954700524284 H -2.48280368516928 -6.58520031351157 1.04767516584513 C -3.94876373747939 -1.98384559506830 -0.01983533994793 C -3.65093086231872 -2.18109118019652 1.47182471923310 C -2.32476841334929 -1.45147824434771 1.88082193337954 C -1.06719963850418 -2.15092735878979 1.49030883572887 C -0.49171247273752 -3.08297260076883 2.35628759690029 C 0.66104865963604 -3.75682410716571 2.01167511910631 C 1.28353941929775 -3.52290276367485 0.78209264847101 C 2.53516382319698 -4.23000861900057 0.41609294266251 Cl 3.99206391036900 -3.25567582697418 0.95440242172408 C 0.72957642471003 -2.56791181715175 -0.06947955628871 C -0.42023158845273 -1.89079455670447 0.27935502085400 C -7.72619386501816 -5.20214467386163 5.27075008168239 C -6.89502957531173 -4.36141679605008 4.29179315597033 C -7.75140217483923 -3.94161945388496 3.06232392920347 C -8.93561317874276 -3.11256679027229 3.45076082219245 C -10.21827882841633 -3.65059205272317 3.45418201599117 C -11.30698620511320 -2.89104389597328 3.83802645460276 C -11.14187565686565 -1.56642402650260 4.22766544139282 C -12.31335748695052 -0.75222329137716 4.66128900191031 Cl -12.58660787398439 -0.96181279808116 6.44396646786166 C -9.85950199570038 -1.02513613103014 4.22754199924961 C -8.77395141313212 -1.78666000155613 3.84089996299324 C -0.78506325309884 -4.45907740335880 6.70549412510247 C -2.26719465032330 -4.27615255946848 6.35224344896490 C -3.18549696681944 -4.73405901934697 7.53288010099229 C -3.27218475353855 -6.21709586260384 7.67661957554176 C -2.37241697382091 -6.93945533449843 8.45773619493705 C -2.43555581546083 -8.31752124392776 8.51835845295198 C -3.41473163140884 -9.01705312024449 7.81503815285943 C -3.46229935978747 -10.50238988612360 7.84877691151969 Cl -2.52350786560773 -11.18556208444183 6.44019548982874 C -4.33158396617104 -8.29493167099382 7.05267153333158 C -4.26023260000724 -6.91866383913316 6.98739186652257 H -4.84679519740541 -2.53249673572504 -0.29792928026937 H -4.12387089760965 -0.92798613837115 -0.21348713572461 H -3.12555328131869 -2.31428100415955 -0.64722237352277 H -4.44891227573816 -1.67243901068602 2.03233600778033 H -2.34904038265203 -0.44685098767629 1.45588182105762 H -2.36119565578997 -1.38514893770170 2.97210607947132 H -0.97888237798355 -3.26943160882069 3.31056683968045 H 1.10021651592365 -4.47130246916808 2.69431156246120 H 2.65748046841718 -4.33948240246385 -0.65947914012072 H 2.64148793067648 -5.18866032968127 0.91891853022823 H 1.21346160017478 -2.35729610847837 -1.01285090419735 H -0.82834049197338 -1.14882816687312 -0.39171658588566 H -8.55222107526146 -4.60752453598301 5.65340245743449 H -8.13640237092852 -6.08886640852304 4.79316443556953 H -7.10954821827268 -5.51057734494102 6.11241412066438 H -6.59652766292850 -3.43887641735819 4.80853339621297 H -7.08781117374743 -3.37313938349515 2.40014539822806 H -8.09527351786472 -4.83266375873737 2.53369064520929 H -10.36766408083203 -4.67691836426212 3.15094890800350 H -12.29588564954791 -3.32659196942195 3.83677582143141 H -12.15371812155351 0.31429673868278 4.51323230017334 H -13.23843790755206 -1.07286422174893 4.18532300248879 H -9.71652241931913 0.00193797336366 4.53082285944636 H -7.78380944429340 -1.35335620793758 3.83752368479594 H -0.54002633307684 -3.82940456462082 7.55758398125333 H -0.16294979384053 -4.14938348151745 5.86826739505057 H -0.54422028962545 -5.48733933157522 6.96017131939429 H -2.44335633421395 -3.19613510650241 6.25297464968406 H -4.18039162097206 -4.32823998464725 7.32380436642286 H -2.80403085985578 -4.28136330664060 8.44990694140280 H -1.61557270950819 -6.41496451646281 9.02290571708134 H -1.72126596872227 -8.86290822106119 9.11857973505474 H -4.47160763817437 -10.89235987748102 7.73152272549371 H -2.98824227719126 -10.91595260373497 8.73660940509826 H -5.10291251688427 -8.82657320251510 6.51284446940500 H -4.96904853979409 -6.35715383179190 6.39234370523043 N -3.92181341446181 -2.43248256271615 4.54091173852051 H -3.85512441869064 -1.49630372626840 4.94500327620735 94 energy: -132.579712266560 gnorm: 0.005000833234 xtb: 6.5.1 (b24c23e) N -3.65847975001383 -3.56332630477001 1.91702921149895 C -3.08406596778947 -4.49670844663720 0.97227950391843 C -2.59330746657989 -5.73399797528738 1.72361127341397 N -3.50635653099303 -6.02960940327937 2.81963127292169 C -4.75312690333450 -6.60710641614764 2.32641540304119 C -5.83769087845107 -6.35179020743139 3.36897614446437 N -5.65607889204934 -5.00371563438828 3.86735805298563 Mo -3.93996925053785 -4.04764352843735 3.81203526430467 N -2.67884112743579 -4.86664150179119 5.08943136776281 C -1.99004375894327 -6.08786886816560 4.73466910775814 C -2.88007501691341 -6.90676675683934 3.80177743866985 H -1.77193315214654 -6.70472824719728 5.61549944099353 H -1.02429110614562 -5.86976272593820 4.24135026653857 H -3.66343273401888 -7.36537539958273 4.40895010021585 H -2.30342556978425 -7.70966728864573 3.31573188866414 H -6.81920495365540 -6.48939422722109 2.89891939902490 H -5.76509829675070 -7.09011335084033 4.18590838636830 H -5.03461855411185 -6.08475805676018 1.40840482277494 H -4.64188045426248 -7.67987761607083 2.10496517120680 H -2.22977277057746 -4.06160796780225 0.43596879870164 H -3.82937851747455 -4.78536977804265 0.20868451328137 H -1.61298737138950 -5.50683951711679 2.14893191553113 H -2.48948232496553 -6.59207332250953 1.04018289171907 C -3.94844581490899 -2.00104328398169 -0.02836342045517 C -3.65708139757088 -2.18916016681988 1.46702268101853 C -2.33802076699269 -1.44388841971310 1.87137406044292 C -1.07726785623999 -2.13864881895188 1.48274824961479 C -0.50565241300045 -3.06996676336776 2.35077229036718 C 0.64887415440349 -3.74326886646175 2.01059639252011 C 1.27526517035464 -3.50891127827721 0.78366468941367 C 2.52633435612477 -4.22021244247362 0.42182973468908 Cl 3.98341132809414 -3.25539832458679 0.97328295273170 C 0.72744553453556 -2.55049940536274 -0.06832311554311 C -0.42427370772604 -1.87436902855568 0.27563371260862 C -7.72440011240733 -5.20293120817803 5.26893306442314 C -6.88203138042103 -4.36462566498341 4.29698793931883 C -7.72859923056511 -3.92661757708077 3.06664646161841 C -8.91420645200262 -3.09997636921099 3.45462265978227 C -10.19574224372562 -3.64119282163024 3.45477277572634 C -11.28733029487756 -2.88501914296625 3.83536514076112 C -11.12723210405720 -1.55973050265829 4.22565389410946 C -12.30095808168636 -0.75112927452081 4.66182195431743 Cl -12.57154656782334 -0.97158011079100 6.44456456082975 C -9.84635015257358 -1.01495757535245 4.22765339938965 C -8.75771205074074 -1.77336747927740 3.84416759596913 C -0.79196998660068 -4.46844995168785 6.70645671505296 C -2.27411911774392 -4.28224980718540 6.35189631900939 C -3.18778586920166 -4.73727463700499 7.53706795797049 C -3.27417630411941 -6.22002007235619 7.68169184636393 C -2.38036158141204 -6.94141588735360 8.47042546677040 C -2.44505917243081 -8.31919588908275 8.53194792929760 C -3.41966734229539 -9.01818819865555 7.82216744518324 C -3.46465106945058 -10.50405494718623 7.85001050094670 Cl -2.51799345470925 -11.17517045446573 6.44366584711420 C -4.33138342620778 -8.29657848372488 7.05326435019678 C -4.25810061780661 -6.92069484054845 6.98657513309746 H -4.84448388629621 -2.55141611418700 -0.30816068603531 H -4.12069384009492 -0.94624532273124 -0.22774819126244 H -3.12041465868335 -2.33520366086099 -0.64724609131677 H -4.46107937298597 -1.68311254446139 2.02125871311542 H -2.37156898010147 -0.44465901850821 1.43652849093937 H -2.37104714806041 -1.36855748693659 2.96147196813812 H -0.99587874194453 -3.25562342643277 3.30366104362708 H 1.08658569046350 -4.45517636493862 2.69584606728732 H 2.65360126180368 -4.32585871003501 -0.65317267271497 H 2.62330044986481 -5.18105185372489 0.92207878240805 H 1.21794398098329 -2.33588403945359 -1.00714757294809 H -0.82714464133092 -1.13048708058959 -0.39611221700661 H -8.54420922794074 -4.59932776008662 5.64938997151581 H -8.14200329906402 -6.08295500832246 4.78636290001232 H -7.11385305456032 -5.52034678959880 6.11168277977878 H -6.57446859699553 -3.44992122444683 4.82146939646699 H -7.05793342665980 -3.34951439171495 2.41967634052561 H -8.06850178453447 -4.81046450055436 2.52458114847771 H -10.34272324738099 -4.66754347125046 3.15183353067569 H -12.27453963891339 -3.32356353250759 3.83049660621716 H -12.14444540455816 0.31625187673746 4.52027338563511 H -13.22495116778590 -1.07330595526810 4.18588194352658 H -9.70700279817067 0.01273614715145 4.52951847003200 H -7.76962152829684 -1.33628191327549 3.84329831150247 H -0.54916967802913 -3.83986538760629 7.55933568644060 H -0.16748606876818 -4.16058609309656 5.87073686791555 H -0.55635948064777 -5.49764612279970 6.96167727302760 H -2.44809968324982 -3.20190161360781 6.25095694217045 H -4.18335748855287 -4.33194926318215 7.33340857971390 H -2.79978343900918 -4.28564134854593 8.45108034089753 H -1.62737478362084 -6.41788381453103 9.04075981107099 H -1.73597764595208 -8.86405497340750 9.13838191352124 H -4.47278972837698 -10.89414323408783 7.72595382740452 H -2.99433561780420 -10.91934746879547 8.73861408086316 H -5.10054094861926 -8.82713780290897 6.51012930590287 H -4.96288186462365 -6.35946181282855 6.38681380256307 N -3.94793363254109 -2.43314267131576 4.52985219857751 H -3.91737150484808 -1.50433501193426 4.94603513091665 94 energy: -132.579844701567 gnorm: 0.004852976146 xtb: 6.5.1 (b24c23e) N -3.66177377144561 -3.56805881981755 1.91200075026966 C -3.09106672396178 -4.50381893779153 0.96708272298983 C -2.59637271603726 -5.73916286831536 1.71907047093371 N -3.50569430701527 -6.03482579833988 2.81806958734475 C -4.75324623096284 -6.61460126236611 2.32913153779473 C -5.83351691099527 -6.35853832339298 3.37622598271952 N -5.64741258677661 -5.01100825113745 3.87450229283005 Mo -3.93667002587709 -4.04899100709616 3.80915896249178 N -2.68332674654398 -4.87250349135211 5.09055437985493 C -1.98871497785207 -6.08945219367746 4.73264764413911 C -2.87478886762971 -6.91096284438459 3.79831415326191 H -1.76688485423215 -6.70767381900189 5.61162786457204 H -1.02439237059131 -5.86521984767855 4.23915562457787 H -3.65504768299312 -7.37583146394832 4.40472905124729 H -2.29392940418660 -7.70938910203779 3.31008980741135 H -6.81752958749983 -6.49575591783049 2.91044774146462 H -5.75797319068493 -7.09734040135095 4.19271492022419 H -5.03916284224583 -6.09330025481475 1.41185151144997 H -4.64089735133367 -7.68721072134582 2.10802540420637 H -2.23893175100060 -4.07072291987091 0.42538860225453 H -3.84025883540168 -4.79433771041148 0.20742684743151 H -1.61502690640933 -5.50948912331015 2.14112433909126 H -2.49309951551621 -6.59847698195620 1.03680420338517 C -3.95283481686433 -2.01255818129563 -0.03869786574169 C -3.66678122437536 -2.19531620912066 1.45843841908400 C -2.35291924422750 -1.44042725314004 1.86357043133551 C -1.08870131489484 -2.13091900117846 1.47874388429520 C -0.52052009060776 -3.06449749282478 2.34691281549919 C 0.63585967184056 -3.73650394047505 2.01006438522036 C 1.26725363358023 -3.49839667340991 0.78588382645115 C 2.51929236364552 -4.21012322459484 0.42727814981951 Cl 3.97540621869833 -3.25156381341226 0.99195766570953 C 0.72339780156788 -2.53703994971558 -0.06552405203844 C -0.43039855058062 -1.86237120688375 0.27520365246532 C -7.72335127343607 -5.20312675561710 5.26670936113446 C -6.87045899337119 -4.36596193313455 4.30289822417348 C -7.70621890946383 -3.91432809016661 3.06975993416464 C -8.89393607326804 -3.08996160663110 3.45555690907463 C -10.17438553371343 -3.63433258225991 3.45387992576792 C -11.26838112989198 -2.88103526316271 3.83337768092094 C -11.11194588146704 -1.55528715923114 4.22453338085839 C -12.28787105642126 -0.75112834208521 4.66233884944905 Cl -12.55836607474380 -0.97946351148345 6.44451876674322 C -9.83227734993549 -1.00727733417436 4.22835817230090 C -8.74109461964344 -1.76306484017049 3.84617319412000 C -0.79661093626200 -4.47400676047902 6.70811521564161 C -2.27842637243743 -4.28613592208202 6.35219394096765 C -3.19011134860751 -4.73891284795603 7.54001605225009 C -3.27712772187669 -6.22156356414289 7.68581820739598 C -2.38839313610656 -6.94238457912281 8.48090689893084 C -2.45389165066129 -8.32041475937314 8.54295801739362 C -3.42380846273619 -9.01950491151878 7.82667245403416 C -3.46700408080901 -10.50576260416643 7.85131065140834 Cl -2.51279982763759 -11.17043732414340 6.44806349491096 C -4.33074076837744 -8.29848226150143 7.05138840342492 C -4.25677495612727 -6.92250717424730 6.98454930685500 H -4.84612860876124 -2.56604434810618 -0.32101953205897 H -4.12626498094906 -0.95862211990918 -0.24205365339256 H -3.12080814112396 -2.34684307460544 -0.65228679038288 H -4.47493212646392 -1.69163750318332 2.00850267462963 H -2.39150922641978 -0.44267178593938 1.42448320410570 H -2.38828447180052 -1.36117887059972 2.95394170632330 H -1.01533902502271 -3.25256378324249 3.29754086469676 H 1.07111909875084 -4.45017132400683 2.69563029834617 H 2.65234688683759 -4.31113011036691 -0.64776705527241 H 2.61078311875873 -5.17407685225903 0.92327372971713 H 1.21856599561421 -2.31922722413882 -1.00130453582047 H -0.83015223008232 -1.11627275162454 -0.39624959873864 H -8.53925599105769 -4.59462969182229 5.64786644361600 H -8.14674394905417 -6.07697846879944 4.77755021810437 H -7.11806194034377 -5.53079733962674 6.10972319631989 H -6.55905569455503 -3.45637203614198 4.83377661518463 H -7.02871904130250 -3.33179947181410 2.43438136518918 H -8.04182096763713 -4.79291722281736 2.51600286694096 H -10.31840481145999 -4.66126155622455 3.15086997543010 H -12.25463450104671 -3.32217422890722 3.82709632956996 H -12.13432561193944 0.31736817220156 4.52523405501687 H -13.21106760109153 -1.07389691756666 4.18499775099266 H -9.69589054004511 0.02092456209437 4.53069559534513 H -7.75391252995736 -1.32338048306987 3.84766322464132 H -0.55321071551163 -3.84417499719614 7.56021474472489 H -0.17009319852775 -4.16975694036951 5.87242537460763 H -0.56428434153421 -5.50345082863509 6.96615759025036 H -2.45141274422992 -3.20561064281577 6.25000875350849 H -4.18615930727736 -4.33312177852661 7.34011749785118 H -2.79862636354524 -4.28712381195826 8.45247756690936 H -1.63858566667547 -6.41866367728146 9.05576051118574 H -1.74897950672946 -8.86526173031172 9.15469413375666 H -4.47426856517091 -10.89688513624859 7.72180770506134 H -3.00064823849194 -10.92262244684416 8.74154304587034 H -5.09646109549687 -8.82957706585579 6.50331055276599 H -4.95702177820361 -6.36106663853460 6.37945069867389 N -3.95201620557852 -2.43838931865313 4.53313709703553 H -3.96801951646460 -1.50561042216417 4.94304002332826 94 energy: -132.579955582645 gnorm: 0.002445216474 xtb: 6.5.1 (b24c23e) N -3.66402745198114 -3.57438986213233 1.90730276834374 C -3.09436569833276 -4.51152941248634 0.96226338857607 C -2.59867785658553 -5.74564997205709 1.71432758093307 N -3.50471677925453 -6.03950866144585 2.81734207961699 C -4.75399506982560 -6.62152669895206 2.33358125688523 C -5.83023996333282 -6.36333985417115 3.38344407523142 N -5.64066508715868 -5.01584407957043 3.88195565659390 Mo -3.93322964217134 -4.05061195431296 3.80559855416382 N -2.68155095345201 -4.87465887935539 5.08977083212677 C -1.98547130899629 -6.09044721753613 4.73105456290464 C -2.86955102987832 -6.91387520975002 3.79742907916918 H -1.76255925281414 -6.70733116334145 5.61049645894885 H -1.02153647895840 -5.86506513604248 4.23792774135631 H -3.64756749005088 -7.38216039443187 4.40403311415846 H -2.28770979821310 -7.70958937368423 3.30691722385062 H -6.81637700975775 -6.49837279424410 2.92082004500588 H -5.75469590330630 -7.10259782157927 4.19966773352785 H -5.04260547084442 -6.10341021276053 1.41523806120410 H -4.64007100560002 -7.69422733075193 2.11531507473408 H -2.24320538662431 -4.07859704780023 0.41943080193901 H -3.84448037579208 -4.80185088655807 0.20368097597315 H -1.61540763574146 -5.51689901223095 2.13291272027063 H -2.49914368497726 -6.60727424041278 1.03454652582214 C -3.95927610530120 -2.02381521709985 -0.04674012126611 C -3.67681747773176 -2.20270930496217 1.45123237601812 C -2.36785629002324 -1.43786655435794 1.85661621514565 C -1.09958473873037 -2.12351530411870 1.47691102285189 C -0.53326146654341 -3.05889859622626 2.34517902300232 C 0.62504357910018 -3.72882738142670 2.01114053636161 C 1.26025577242147 -3.48733166597267 0.78879045930652 C 2.51295763309535 -4.19950295641792 0.43223683128492 Cl 3.96910005027417 -3.24940163174556 1.00926137517343 C 0.71849981517847 -2.52455081615129 -0.06209506043731 C -0.43736003544086 -1.85145873032621 0.27635724272108 C -7.72523150596026 -5.20495467479648 5.26166109709656 C -6.86235663000725 -4.36684131825492 4.30782167145098 C -7.68670735737637 -3.90317028793477 3.07169187061114 C -8.87619220805304 -3.08085917167434 3.45567151728688 C -10.15568115400114 -3.62782614366224 3.45308512517486 C -11.25128509685409 -2.87667937264150 3.83261695906464 C -11.09715018513279 -1.55069065701268 4.22460976713777 C -12.27494760281503 -0.74981209904469 4.66327767633072 Cl -12.54662450312983 -0.98417905657577 6.44408120062095 C -9.81826318664256 -1.00048429874855 4.23109852431831 C -8.72537545596590 -1.75437930784119 3.84925914252304 C -0.79890762902609 -4.47596389693739 6.71018524598683 C -2.27997814625094 -4.28791384305112 6.35145354714036 C -3.19283713600188 -4.74061075665289 7.53935320353725 C -3.28032816347701 -6.22298340206516 7.68645666082805 C -2.39667612749504 -6.94289374435373 8.48820394345967 C -2.46289502163063 -8.32115584910248 8.55193676061515 C -3.42818561756750 -9.02108066982141 7.83007239247642 C -3.46948437643247 -10.50756798028587 7.85334137878802 Cl -2.50782272935747 -11.16811250014845 6.45395685729779 C -4.33016236826124 -8.30124489733765 7.04754089268638 C -4.25559492444054 -6.92530250193389 6.97949968559641 H -4.84944741764208 -2.58111160934694 -0.33170245511380 H -4.13568553418056 -0.97080858586366 -0.25351471711787 H -3.12367610696769 -2.35646483528993 -0.65647077489768 H -4.48838106072894 -1.70211171281650 1.99879666491549 H -2.41185432177889 -0.44192956421064 1.41193521536801 H -2.40622899133002 -1.35187477006361 2.94724597940284 H -1.03270085245685 -3.24984199293880 3.29344389396642 H 1.05896733471437 -4.44431214919614 2.69648178495083 H 2.65069113648425 -4.29557643749600 -0.64311304822112 H 2.59881415081588 -5.16745377265007 0.92258661071976 H 1.21659545311505 -2.30487947538842 -0.99605342468663 H -0.83563870388952 -1.10402678210952 -0.39490322907919 H -8.53956890921969 -4.59488925671431 5.64376222112558 H -8.15146754010351 -6.07294523056969 4.76422765227650 H -7.12585256180565 -5.54281225296904 6.10507857285878 H -6.55011289041833 -3.46183105395940 4.84587435357935 H -7.00310480798723 -3.31656052730250 2.44640070577271 H -8.01789423649486 -4.77704746144469 2.50729772762771 H -10.29714582629401 -4.65543470093145 3.15008418862415 H -12.23705972111514 -3.31961863919609 3.82596811478887 H -12.12378372446948 0.31967348645749 4.52906269659570 H -13.19738491427652 -1.07243937577545 4.18354933897095 H -9.68387270746693 0.02777471989451 4.53540938441899 H -7.73832077332686 -1.31346330758710 3.85391421391103 H -0.55570325287793 -3.84461137157793 7.56169777930357 H -0.17002576510699 -4.17457005232474 5.87498997134239 H -0.56851318788238 -5.50531436535699 6.97107609614780 H -2.45361552567762 -3.20752113447573 6.24962162404106 H -4.18889130580840 -4.33427958629232 7.34034134774437 H -2.80066366836618 -4.28793879794368 8.45122249733818 H -1.64954003315109 -6.41811623198937 9.06636549627108 H -1.76199936972835 -8.86581793348668 9.16905459178781 H -4.47574548328478 -10.90070999589513 7.71936894374160 H -3.00684961116424 -10.92550287078982 8.74551806389217 H -5.09189494347430 -8.83420106033030 6.49482171567294 H -4.95067584176990 -6.36342938265939 6.36852037872779 N -3.95356330132112 -2.43977039352185 4.52714935395327 H -3.99829246032876 -1.51602873159860 4.94683613775281 94 energy: -132.580036965960 gnorm: 0.002492113488 xtb: 6.5.1 (b24c23e) N -3.66780484664471 -3.58264168328585 1.90224602227817 C -3.09553655335456 -4.51965983330905 0.95758019500935 C -2.59947985671470 -5.75282533455949 1.70986518371507 N -3.50226322515384 -6.04424384899692 2.81720068303723 C -4.75372710948204 -6.62796268861302 2.33876287434018 C -5.82720369807572 -6.36764265146768 3.38985670856692 N -5.63481749052699 -5.02078040044175 3.89025429484348 Mo -3.92952771874094 -4.05354597603953 3.80182453078125 N -2.67543246785420 -4.87472860355490 5.08699888769078 C -1.98036021574150 -6.09175510665650 4.73008857684440 C -2.86376476399601 -6.91672371872847 3.79804831215831 H -1.75855253232591 -6.70627402189456 5.61142761426944 H -1.01585537717650 -5.86831195726942 4.23757940726600 H -3.64081066057775 -7.38603878940955 4.40496462066398 H -2.28181843788395 -7.71131312173416 3.30656010082546 H -6.81460223303980 -6.49823981404585 2.92878388428914 H -5.75378418133500 -7.10779076477258 4.20536193135477 H -5.04353403908936 -6.11335730292677 1.41873463391393 H -4.63942524124202 -7.70117187298434 2.12406327687561 H -2.24448680325352 -4.08473078943596 0.41658514128273 H -3.84386387089745 -4.81031363246551 0.19790209580753 H -1.61411543866481 -5.52645911879069 2.12515648333570 H -2.50442996838362 -6.61637660413760 1.03213766916672 C -3.96899049009683 -2.03627299668133 -0.05510119044445 C -3.68881680656595 -2.21177641446127 1.44329266399196 C -2.38516872488798 -1.43716154708282 1.84957607196102 C -1.11260235242357 -2.11758599749635 1.47608058113613 C -0.54725419041038 -3.05397765306334 2.34443497735812 C 0.61305719614563 -3.72110166827196 2.01293084325690 C 1.25201640030447 -3.47610677791620 0.79268006441353 C 2.50562461393656 -4.18769970683547 0.43780895977884 Cl 3.96104963595972 -3.24612977571506 1.02888447943677 C 0.71174079155625 -2.51235066767187 -0.05742837282943 C -0.44645445883862 -1.84160133268185 0.27886153625280 C -7.72886925503787 -5.20839991969592 5.25488871034249 C -6.85557576558106 -4.36807555771173 4.31297472681045 C -7.66699821314935 -3.89211784468206 3.07332897917613 C -8.85789746660115 -3.07135438051156 3.45518212493303 C -10.13649050745972 -3.62023942724648 3.45121423133303 C -11.23304371619861 -2.87121304023619 3.83213120226004 C -11.08047918591070 -1.54569433884896 4.22634595722913 C -12.26004707248912 -0.74728322356975 4.66511430118131 Cl -12.53537581226811 -0.98633278830513 6.44391252174426 C -9.80229527697103 -0.99387232785448 4.23548909414347 C -8.70835503313509 -1.74587084554945 3.85276598442439 C -0.79919623221999 -4.47573303213942 6.71336881911815 C -2.27912225713855 -4.28898070973340 6.34998882810237 C -3.19562448678898 -4.74260256437979 7.53591213772517 C -3.28379131533219 -6.22458419257494 7.68459504412436 C -2.40594785414246 -6.94325630426342 8.49375174297387 C -2.47267819593685 -8.32150640007979 8.55964712985224 C -3.43247072105642 -9.02276864557538 7.83186986060763 C -3.47239852031276 -10.50929171584038 7.85592837197557 Cl -2.50269501844686 -11.16964168377043 6.46216814148561 C -4.32896053614423 -8.30427473290783 7.04158670858731 C -4.25435365897463 -6.92854383252178 6.97221037447024 H -4.85533874707830 -2.59868841725170 -0.34235648787592 H -4.15125054231203 -0.98447937523059 -0.26404285967240 H -3.13006137964757 -2.36433199398849 -0.66283289767506 H -4.50418725051588 -1.71515549345353 1.98880141881948 H -2.43376500710711 -0.44330784648083 1.39994294487333 H -2.42787553580834 -1.34481819277773 2.93997645457801 H -1.05067432518234 -3.24774091778544 3.29032034789597 H 1.04617291933523 -4.43799111549425 2.69753877179237 H 2.64830022533805 -4.27693832441112 -0.63774026425863 H 2.58665119639289 -5.15993525835885 0.92103413887255 H 1.21213559217479 -2.29058705918741 -0.98980399050034 H -0.84420949363910 -1.09350692420811 -0.39212013544804 H -8.54183775240102 -4.59710673596001 5.63838701388129 H -8.15809532334507 -6.06948639268464 4.74780764882167 H -7.13620640288866 -5.55768342195791 6.09841035680658 H -6.54334419789776 -3.46792304169253 4.85937115016479 H -6.97609572507785 -3.30202237418082 2.45908633363626 H -7.99405870139887 -4.76073789962950 2.49813396612697 H -10.27568233103624 -4.64773430206502 3.14644824799317 H -12.21839225994722 -3.31534181883641 3.82538917342333 H -12.11023307397364 0.32284194642380 4.53305350208424 H -13.18118380810006 -1.06936935455068 4.18190356327103 H -9.66934952426753 0.03378170823811 4.54290847291553 H -7.72135506968667 -1.30447535536796 3.86004103798137 H -0.55724046157213 -3.84205544215479 7.56371155163971 H -0.16825462262302 -4.17674409689861 5.87880931968915 H -0.56923514452664 -5.50432358666109 6.97785503992462 H -2.45402915358457 -3.20876126245691 6.24885287563362 H -4.19107855153636 -4.33595770764388 7.33423677961944 H -2.80588340879303 -4.28870696647898 8.44837827482668 H -1.66248552333486 -6.41704939557967 9.07579275419793 H -1.77628659042979 -8.86547774298948 9.18267561560590 H -4.47751446376261 -10.90436684634433 7.71756555315585 H -3.01397332474640 -10.92670684877597 8.75080335795783 H -5.08597120267363 -8.83936958880327 6.48416182563968 H -4.94458665643573 -6.36641376562391 6.35607014986091 N -3.94635498062937 -2.44120842290976 4.52253742736889 H -4.02643218050436 -1.52296968439267 4.95327983114436 94 energy: -132.580095254479 gnorm: 0.004177830645 xtb: 6.5.1 (b24c23e) N -3.66713502250320 -3.58991246505045 1.90085756551718 C -3.09153756030719 -4.52593763688963 0.95633957333708 C -2.59850262586020 -5.76022021437011 1.70841767821428 N -3.49986605419147 -6.04780834765028 2.81875357201872 C -4.75227707067655 -6.63305365275302 2.34314765218383 C -5.82553841752697 -6.36976936548493 3.39290267469892 N -5.63210800244419 -5.02282263696444 3.89431208516548 Mo -3.92729187368629 -4.05521565622094 3.79965157772644 N -2.66461113340646 -4.87141597603421 5.08146012263752 C -1.97345457233660 -6.09213093907696 4.72888213040333 C -2.85969516455615 -6.91845186051870 3.80107619682820 H -1.75340860512564 -6.70289895438885 5.61330770653139 H -1.00824521756047 -5.87391626127079 4.23544238616557 H -3.63655272155692 -7.38487364061764 4.41035730926939 H -2.27988998759934 -7.71484368386523 3.31025560795824 H -6.81261524791153 -6.49707744028712 2.93052432989384 H -5.75556550266472 -7.11011647579401 4.20841788144493 H -5.04110519187122 -6.12194592930427 1.42074726712309 H -4.63837270321170 -7.70719918017307 2.13282486512604 H -2.23878471229148 -4.08908417919291 0.41980136930213 H -3.83699296039907 -4.81504860896238 0.19366487194177 H -1.61093857202164 -5.53903144431969 2.12154391727365 H -2.50944439421996 -6.62483866867890 1.03140397344768 C -3.97787722316963 -2.04668051317173 -0.05810232659410 C -3.69605443295821 -2.21951037004570 1.43988188035476 C -2.39670343552667 -1.43658596086344 1.84494279818130 C -1.12095140963676 -2.11333233227622 1.47648150487415 C -0.55443565029711 -3.04798906204902 2.34615662546191 C 0.60755486196507 -3.71249278053356 2.01607920530184 C 1.24716028718939 -3.46710726902549 0.79617145867462 C 2.50068305550317 -4.17927215761508 0.44116003599188 Cl 3.95613308370266 -3.24566004866972 1.04157444546443 C 0.70635188450195 -2.50461276694828 -0.05435103749222 C -0.45363761898244 -1.83596134736583 0.28068910231195 C -7.73434227585939 -5.21395836361944 5.24666733943422 C -6.85400375375502 -4.37023346948708 4.31477432099180 C -7.65760523136139 -3.88610171099093 3.07381961615031 C -8.84867576282799 -3.06553253811699 3.45525292089875 C -10.12735873969330 -3.61394175903111 3.44975434652754 C -11.22345484292737 -2.86525361003775 3.83255661842010 C -11.07019605417507 -1.54076405489713 4.22959037968812 C -12.25019838223023 -0.74204990625705 4.66736457340135 Cl -12.52990201524632 -0.98212025802607 6.44432153280733 C -9.79179137761779 -0.98970355338390 4.24129392542956 C -8.69827218137769 -1.74143888060666 3.85705886024891 C -0.79642383376067 -4.47197468184805 6.71602638446802 C -2.27508679325855 -4.28806004033438 6.34660060710307 C -3.19772991411697 -4.74418306285513 7.52800971047775 C -3.28587543944983 -6.22571624869168 7.67817675531802 C -2.41190792281077 -6.94289039130192 8.49282974131749 C -2.47915734718569 -8.32084596297735 8.56187761143172 C -3.43532911068853 -9.02396094075137 7.83126112311245 C -3.47491049409691 -10.51023649038452 7.85890827384359 Cl -2.50002749017728 -11.17451904421756 6.47021967747621 C -4.32828549798637 -8.30702668722673 7.03539559649196 C -4.25374746520130 -6.93163204094864 6.96371798431711 H -4.86127207854337 -2.61401914841373 -0.34485864988431 H -4.16655560724455 -0.99605738433644 -0.26786259093544 H -3.13746342204883 -2.37013925713419 -0.66625560805237 H -4.51398912381706 -1.72734478302329 1.98562095158107 H -2.44885489669671 -0.44527620030482 1.38983833036969 H -2.44186996519217 -1.33787411509345 2.93483369544214 H -1.05894230905168 -3.24256255780895 3.29112918764135 H 1.04189812151632 -4.42838112614252 2.70081174698843 H 2.64538741530077 -4.26283357771809 -0.63460795579550 H 2.57763089052646 -5.15489342583393 0.91833084264200 H 1.20674579482904 -2.28250028410214 -0.98666950596269 H -0.85240302549125 -1.08886267958748 -0.39079990046538 H -8.54805957814437 -4.60338142320529 5.63022971896670 H -8.16362588569607 -6.07028524857249 4.73178386965187 H -7.14755132319640 -5.57071886664626 6.09081845205459 H -6.54365820131321 -3.47361243655147 4.86810476673111 H -6.96237484057356 -3.29426427802404 2.46649173971678 H -7.98289933987774 -4.75100527324314 2.49232730385979 H -10.26648296989371 -4.64057472400322 3.14226787472033 H -12.20907090293879 -3.30871198078326 3.82542122741488 H -12.09941299892324 0.32805231892669 4.53557960079591 H -13.17027724523622 -1.06289590903593 4.18100742570931 H -9.65838194499025 0.03686535245326 4.55200292798540 H -7.71082464825287 -1.30118353658760 3.86614870922124 H -0.55799355871132 -3.83683879525451 7.56632889305961 H -0.16347417341916 -4.17271622364809 5.88307498849065 H -0.56506672314243 -5.49974748687953 6.98239003061759 H -2.45183823888697 -3.20804588514457 6.24682186972070 H -4.19221179633355 -4.33825142276230 7.31948429170796 H -2.81390721596288 -4.28878221925306 8.44235575674699 H -1.67114865141510 -6.41508036678688 9.07684584516453 H -1.78603730515799 -8.86354166186056 9.18955170134665 H -4.47921322773031 -10.90663511374599 7.71837569036281 H -3.01922966079781 -10.92530312060400 8.75632111006505 H -5.08222708928481 -8.84417248557981 6.47594662532429 H -4.94137312298052 -6.36981054291662 6.34459645898979 N -3.94528347933065 -2.44418683071505 4.52497235930403 H -4.03161983444877 -1.53460477765425 4.96375331260880 94 energy: -132.580145549997 gnorm: 0.002717362643 xtb: 6.5.1 (b24c23e) N -3.66678224653676 -3.59652522542842 1.89986119024222 C -3.08740143555764 -4.53099378840169 0.95613194552456 C -2.59575012762386 -5.76629813061826 1.70841682644069 N -3.49628196522148 -6.05206344895795 2.81977056047282 C -4.74894004626703 -6.63738701964912 2.34540606227344 C -5.82336740793798 -6.37209609876259 3.39367729279604 N -5.62888713019010 -5.02560698316251 3.89622386089167 Mo -3.92378618445540 -4.05805668751384 3.79839555395395 N -2.65543808297566 -4.86964632986592 5.07771363728771 C -1.96700147999428 -6.09291634283666 4.72831947801770 C -2.85582208515645 -6.92073657952435 3.80358552276539 H -1.74742893522644 -6.70108082818638 5.61468997139910 H -1.00163076123941 -5.87804319450241 4.23330179822736 H -3.63285763713702 -7.38401867589085 4.41501912622587 H -2.27732625045350 -7.71951522542960 3.31466732867288 H -6.80951736543057 -6.49676240411359 2.92912923677662 H -5.75638041595689 -7.11293498058123 4.20883287396132 H -5.03666064146738 -6.12796781892626 1.42171923704561 H -4.63642234558724 -7.71232561914704 2.13756508798942 H -2.23355743447734 -4.09221512970487 0.42267755089040 H -3.83031051610706 -4.82019527862926 0.19113098067708 H -1.60707598077377 -5.54798610764264 2.12035756022584 H -2.50982013567028 -6.63078808740920 1.03085181677776 C -3.98741229059806 -2.05725429118208 -0.06127197314986 C -3.70353391813194 -2.22653373869759 1.43668350411567 C -2.40836601133568 -1.43714892144470 1.84094754431127 C -1.12984070866066 -2.11063730316785 1.47613646236481 C -0.56232634131944 -3.04280741579698 2.34748753614958 C 0.60110878210488 -3.70530095633748 2.01857657089040 C 1.24134987247885 -3.45979920195548 0.79936509344800 C 2.49535742818602 -4.17158442020457 0.44467756211685 Cl 3.94925586828583 -3.24315235610003 1.05529864247598 C 0.70039735835771 -2.49830635380109 -0.05183608898263 C -0.46144391951567 -1.83210023368970 0.28152632080158 C -7.73823638128787 -5.21959495407442 5.23940794591878 C -6.85162679520121 -4.37324441632166 4.31595921065242 C -7.64901786177915 -3.88070486509254 3.07431564255189 C -8.83988784927054 -3.05985061450339 3.45575878746184 C -10.11902627668064 -3.60705845661360 3.44748252291360 C -11.21456800792962 -2.85865139548688 3.83203625488577 C -11.06052699375435 -1.53556560405919 4.23310722335864 C -12.24056324963308 -0.73617007358157 4.67014977981065 Cl -12.52469774108200 -0.97750780593062 6.44590259588802 C -9.78179686286028 -0.98557548809622 4.24691535273497 C -8.68878842558102 -1.73703604242722 3.86115152100159 C -0.79332520023748 -4.46956622484760 6.71898568233850 C -2.27088939946796 -4.28755255413363 6.34453217409496 C -3.19965004267927 -4.74504505978579 7.52093273945293 C -3.28749297893015 -6.22633671942025 7.67233026283319 C -2.41676545534998 -6.94205881758085 8.49163801349184 C -2.48430902324607 -8.31964083071741 8.56314614942710 C -3.43712786446989 -9.02448023731611 7.82983513347350 C -3.47739961424741 -10.51045590602993 7.86193427732792 Cl -2.49788431093757 -11.18080638866893 6.47861237716700 C -4.32721818378585 -8.30884406038047 7.02965040556707 C -4.25307842052352 -6.93366337951525 6.95629474084684 H -4.86768846116501 -2.63017036977067 -0.34661097615664 H -4.18309004181383 -1.00806533827674 -0.27156881768446 H -3.14559548607752 -2.37586517834686 -0.67010423880578 H -4.52437751396371 -1.73872657532705 1.98234175089858 H -2.46306634724450 -0.44787786898381 1.38267364724172 H -2.45560281310427 -1.33571810926307 2.93013474360302 H -1.06707891863826 -3.23793609434590 3.29195657833388 H 1.03619255607878 -4.41984202462524 2.70382463769161 H 2.64293925394507 -4.24879959824472 -0.63105768717473 H 2.56951306126513 -5.14980614558456 0.91638485549228 H 1.20132533696948 -2.27497881671717 -0.98355194373479 H -0.86093226485911 -1.08609952175775 -0.39057019597892 H -8.55114370712691 -4.60793321976210 5.62343232932510 H -8.16945501360355 -6.07088485264629 4.71798127600094 H -7.15652778854001 -5.58382208053395 6.08368248850948 H -6.54177302486844 -3.48029414933792 4.87560247982360 H -6.94953262403671 -3.28689925371059 2.47378394198738 H -7.97366529268289 -4.74175751815207 2.48697445358364 H -10.25871862886282 -4.63226211862499 3.13615361226937 H -12.20043455488298 -3.30113183487686 3.82318762141720 H -12.08792554852113 0.33376273292587 4.53950316996368 H -13.15961254089757 -1.05563188646638 4.18122627078228 H -9.64775161077419 0.03988568101508 4.56033216372244 H -7.70121202253814 -1.29767506709022 3.87122304703125 H -0.55870672283526 -3.83280193894481 7.56891704380390 H -0.15867597773566 -4.17010776453936 5.88743126586800 H -0.56079944365572 -5.49653125411635 6.98728331970627 H -2.44831300928547 -3.20760917167699 6.24438414941714 H -4.19312096104419 -4.34040899585108 7.30450030108672 H -2.82230330765938 -4.28828815482322 8.43730454807226 H -1.67893311018159 -6.41311852683309 9.07792494002420 H -1.79420579226842 -8.86080886398346 9.19510792378739 H -4.48112201000590 -10.90701923387197 7.71892269018132 H -3.02467009848062 -10.92231237033407 8.76210779924121 H -5.07873940195487 -8.84705069401213 6.46839699643290 H -4.93951214815401 -6.37281267685306 6.33522662785378 N -3.94666641759227 -2.44797759697528 4.52602125655513 H -4.04416417267019 -1.54356747683677 4.97718846255270 94 energy: -132.580198002393 gnorm: 0.002336146909 xtb: 6.5.1 (b24c23e) N -3.66454768848876 -3.60328618560640 1.90152561048094 C -3.08031526487822 -4.53493306473088 0.95864611360798 C -2.59009642723119 -5.77179780558269 1.71106764427040 N -3.49124646016709 -6.05647797951153 2.82152241380507 C -4.74300521876207 -6.64129868668905 2.34595682436871 C -5.82162289217336 -6.37496502674299 3.39069472794036 N -5.62837477035234 -5.02917937725375 3.89469244524484 Mo -3.92287045707352 -4.06340212112846 3.79777001124098 N -2.64495891225207 -4.86709279963103 5.07215009176551 C -1.95926558596718 -6.09310050639348 4.72719817028094 C -2.85214477123663 -6.92309227788539 3.80718513872118 H -1.73930706783114 -6.69794281886770 5.61564875766273 H -0.99427549256567 -5.88222512150382 4.22930566768316 H -3.62954032968875 -7.38101213086078 4.42231605098427 H -2.27629139111816 -7.72614881878415 3.32145638231503 H -6.80561673664697 -6.49819683188087 2.92159448272015 H -5.75842345323729 -7.11627823970170 4.20558251970126 H -5.02850354037343 -6.13288463783163 1.42106104582882 H -4.63146433501001 -7.71682237726152 2.13970925236718 H -2.22497677802948 -4.09428925591667 0.42884639278487 H -3.82010246273184 -4.82428001063441 0.19058361010747 H -1.60094576779320 -5.55554605801165 2.12278050426267 H -2.50587614118445 -6.63556270529154 1.03227121521386 C -3.99788763523005 -2.06856801545096 -0.06121316628919 C -3.70987055848792 -2.23369767585464 1.43662578564942 C -2.41878433132268 -1.43825407000319 1.83875109331327 C -1.13756655031991 -2.10859477402919 1.47612566009126 C -0.56776126670734 -3.03642213958987 2.35017890544873 C 0.59693760808388 -3.69741360817482 2.02186751892182 C 1.23608689491639 -3.45343074451825 0.80224456269754 C 2.49089707722320 -4.16444848642875 0.44768377700092 Cl 3.94273156849093 -3.24024515171807 1.06810728515472 C 0.69378368419300 -2.49423055440546 -0.05071257483131 C -0.46974571207753 -1.83045406744831 0.28116611901137 C -7.74232919644279 -5.22724607633712 5.23136643550482 C -6.85169345105666 -4.37754994965931 4.31512778582888 C -7.64572394844140 -3.87785035082900 3.07407312697281 C -8.83531336650725 -3.05556125571067 3.45691872217654 C -10.11590926422306 -3.59955388819061 3.44476027656415 C -11.21013583376775 -2.85001277090093 3.83064821117573 C -11.05370929141070 -1.52875356564078 4.23688603544948 C -12.23248528308364 -0.72706073371398 4.67353985046403 Cl -12.52075620840145 -0.96912290807732 6.44869085430518 C -9.77372205981648 -0.98179125712872 4.25363389314324 C -8.68205063476613 -1.73430993271474 3.86649736930077 C -0.78933412820723 -4.46679768355342 6.72163935583172 C -2.26554078141867 -4.28607725365856 6.34095404431110 C -3.20140689900431 -4.74472617280679 7.51110726860833 C -3.28830487432012 -6.22589064018074 7.66408138856904 C -2.41915289651758 -6.93993241261712 8.48668214232526 C -2.48708651215905 -8.31706295362452 8.56135259363989 C -3.43818988718729 -9.02404506177873 7.82758621799610 C -3.48017675834889 -10.50951533756291 7.86591176027799 Cl -2.49704629488445 -11.18923898464708 6.48825392455626 C -4.32656740974686 -8.30997801927466 7.02403865134019 C -4.25271891143062 -6.93492389748252 6.94825502374125 H -4.87495314617496 -2.64798283257317 -0.34332149823785 H -4.20134222730008 -1.02118050993299 -0.27221043406114 H -3.15520976909753 -2.38248027480321 -0.67129577951857 H -4.53323382008783 -1.75064240295189 1.98301895077413 H -2.47614593798271 -0.45091788968876 1.37770285621239 H -2.46647020101597 -1.33501768067282 2.92724742137846 H -1.07102573415809 -3.23107997205594 3.29531618420594 H 1.03380298989971 -4.40900326640683 2.70877499807350 H 2.64114121229071 -4.23532063475218 -0.62790954609188 H 2.56274892540857 -5.14502004392517 0.91415866478598 H 1.19425703863352 -2.27063889619916 -0.98246097834418 H -0.87109897543810 -1.08703952123998 -0.39249222630345 H -8.55434164969106 -4.61460898751122 5.61585738823670 H -8.17500362934303 -6.07384898776405 4.70384460859191 H -7.16479828161134 -5.59805561854678 6.07541038595902 H -6.54208399474469 -3.48804840020546 4.88017679026998 H -6.94380276757806 -3.28295442609105 2.47794941504881 H -7.97153808783582 -4.73555254253500 2.48294048206599 H -10.25802094237874 -4.62293872183470 3.12900698969603 H -12.19690713001431 -3.29014190802047 3.81857389085804 H -12.07633953741007 0.34248015422790 4.54436515302721 H -13.15115546464791 -1.04394718907776 4.18275981136498 H -9.63763209516530 0.04230458328542 4.57012854798041 H -7.69384701175421 -1.29691267746854 3.87818772690220 H -0.55970179129280 -3.82938243682513 7.57221823745723 H -0.15201820798103 -4.16613361581359 5.89250826147928 H -0.55585111703301 -5.49326131518729 6.99081228750349 H -2.44246452691470 -3.20602346827683 6.24044756751995 H -4.19382051836843 -4.34252620020627 7.28449985400146 H -2.83282801488545 -4.28618339444936 8.43013546219228 H -1.68328583135204 -6.40983228173335 9.07383055149653 H -1.79901734162820 -8.85631597659080 9.19677268289534 H -4.48362924689567 -10.90550139298205 7.72103168196328 H -3.03024968363807 -10.91723653490973 8.76907940483946 H -5.07697832725280 -8.84894234940893 6.46234532101508 H -4.93956805429126 -6.37587074843232 6.32603070198991 N -3.95041563234314 -2.45633552593769 4.53428742930183 H -4.04579041174564 -1.55446988109050 4.99064278186192 94 energy: -132.580239620540 gnorm: 0.001951089290 xtb: 6.5.1 (b24c23e) N -3.66308315764372 -3.60976130003257 1.90301614153951 C -3.07425650731438 -4.53842288758199 0.96102772042824 C -2.58367480786775 -5.77527745172078 1.71438260859806 N -3.48648776856994 -6.06014925153244 2.82289244716129 C -4.73659014486418 -6.64485571150484 2.34438859493753 C -5.81942961851625 -6.37855685126240 3.38579565548037 N -5.62724167308816 -5.03363490495222 3.89156580275247 Mo -3.92212097763535 -4.06789676736548 3.79821288309970 N -2.63727760048535 -4.86675570875263 5.06799044269032 C -1.95270713001597 -6.09391718272159 4.72594098817643 C -2.84885516830898 -6.92547561619903 3.80974652098119 H -1.73141482740975 -6.69656076681545 5.61540605929092 H -0.98858455208675 -5.88510808946921 4.22541282395909 H -3.62649610228604 -7.37891783686340 4.42805842731177 H -2.27542470916521 -7.73220175292309 3.32663705224668 H -6.80134658926184 -6.50104101397159 2.91194759165940 H -5.75976234198994 -7.12110794358937 4.19985315360605 H -5.01993845954047 -6.13641579567223 1.41885975327062 H -4.62507817628733 -7.72053028108076 2.13831908168843 H -2.21833805373396 -4.09594228898703 0.43360607081996 H -3.81118137661289 -4.82927930240527 0.19065658615294 H -1.59534869431005 -5.55770984968449 2.12714150971681 H -2.49734859796394 -6.63860001244422 1.03511793161087 C -4.00794958771565 -2.07938214827872 -0.06061174116195 C -3.71623791116109 -2.24059390464055 1.43717506209333 C -2.42906396968270 -1.43966536843748 1.83779979270509 C -1.14530983387836 -2.10681153746377 1.47615691427237 C -0.57313774859431 -3.03057900639288 2.35264540628591 C 0.59267961867251 -3.69050091254512 2.02487042647655 C 1.23070728727171 -3.44785387579045 0.80467432190697 C 2.48692823740992 -4.15711465014133 0.45099944000598 Cl 3.93602920512332 -3.23539191633360 1.08141125454678 C 0.68640806272769 -2.49137750426258 -0.05031096669332 C -0.47875789379573 -1.82988469237976 0.28011052998916 C -7.74462113372639 -5.23467461662360 5.22418581098646 C -6.85083116651643 -4.38261334416000 4.31322174203204 C -7.64331905322779 -3.87619882765725 3.07352421178958 C -8.83135615757814 -3.05207269818826 3.45807975716951 C -10.11376048834810 -3.59210345620073 3.44157885300511 C -11.20663000872440 -2.84085385561625 3.82799514884690 C -11.04744302944628 -1.52142604098774 4.23948950732082 C -12.22437489554345 -0.71747140813533 4.67669145511523 Cl -12.51520493392128 -0.96176753963373 6.45189556001899 C -9.76579572687238 -0.97822926727050 4.25988680849930 C -8.67552935012056 -1.73240715871835 3.87204658666548 C -0.78656674625036 -4.46676301561636 6.72400709443650 C -2.26133187119751 -4.28554954512600 6.33799585273165 C -3.20314703879099 -4.74322528314675 7.50293597347577 C -3.28911566484822 -6.22437919484219 7.65774921875797 C -2.42019473686705 -6.93698693187009 8.48210917255787 C -2.48827750317987 -8.31382672695239 8.55934937929338 C -3.43895125136569 -9.02264305932457 7.82633161693766 C -3.48296989118625 -10.50758646284184 7.87023267538295 Cl -2.49648076083526 -11.19595844066156 6.49770042596676 C -4.32638750173970 -8.31000424997166 7.02037812452540 C -4.25272505156711 -6.93494271220650 6.94243721783183 H -4.88189075146016 -2.66499362841564 -0.33966953531182 H -4.21845812495533 -1.03378232677430 -0.27276747700030 H -3.16438251611027 -2.38930915750521 -0.67143585289157 H -4.54174902881970 -1.76166252731676 1.98411550742592 H -2.48936946790032 -0.45324785064281 1.37562704947475 H -2.47666834222630 -1.33600948745538 2.92600459000682 H -1.07467468282951 -3.22446199890995 3.29882102230521 H 1.03093293908711 -4.39950614870483 2.71358783636075 H 2.64080707366001 -4.22231314964134 -0.62432560359934 H 2.55737063816055 -5.13981737684753 0.91294423967426 H 1.18636492944115 -2.26816618634587 -0.98226000439815 H -0.88224059085743 -1.08931836734401 -0.39535919817758 H -8.55498333234779 -4.62114934932004 5.61054333532588 H -8.17929618613326 -6.07700328363060 4.69164739886464 H -7.16955961923252 -5.61163458082580 6.06714313394264 H -6.54064508584019 -3.49617352841278 4.88245144432997 H -6.93958476058811 -3.28044799479885 2.48046554860723 H -7.97082432128053 -4.73098642799270 2.47908369101589 H -10.25877703910142 -4.61383267983162 3.12178669342896 H -12.19457706842923 -3.27823925494230 3.81183975140547 H -12.06491592908389 0.35186517519052 4.55022102066124 H -13.14354918387899 -1.03102668334454 4.18506906503807 H -9.62732520300116 0.04458600790532 4.57950677983716 H -7.68637954565606 -1.29726754888725 3.88650626310159 H -0.56060594768584 -3.82944976314627 7.57556001560517 H -0.14629051587125 -4.16553842217328 5.89730340123655 H -0.55363498718186 -5.49318069421799 6.99363638557764 H -2.43644355337883 -3.20531695956643 6.23612158099815 H -4.19466165097023 -4.34321990961764 7.26812509839722 H -2.84191421020623 -4.28269426383131 8.42384200453828 H -1.68511104395349 -6.40591162044753 9.06912643321915 H -1.80098497193113 -8.85153812546350 9.19676068295849 H -4.48636296140364 -10.90270504032572 7.72338546413421 H -3.03595554795053 -10.91222214165446 8.77606391825223 H -5.07653913947517 -8.84941421028036 6.45872009518937 H -4.94041325544709 -6.37776801060690 6.31920701390523 N -3.95670784175463 -2.46388401173662 4.54063679471781 H -4.04821764296500 -1.56343955218933 5.00201293089163 94 energy: -132.580289896576 gnorm: 0.002437684167 xtb: 6.5.1 (b24c23e) N -3.66262130622261 -3.61854225517610 1.90427781184784 C -3.06726503704389 -4.54317947209544 0.96352411678109 C -2.57376545517386 -5.77774432916519 1.71890835138334 N -3.48000802096374 -6.06508014427187 2.82372165307595 C -4.72770140268411 -6.65012908391412 2.34019237915111 C -5.81641050807606 -6.38519850051857 3.37688829879570 N -5.62642794260249 -5.04181017315567 3.88623201815695 Mo -3.92251775125642 -4.07629040391700 3.79807079353050 N -2.62948713179001 -4.86830940397614 5.06326352946039 C -1.94527331604913 -6.09593905234119 4.72385923009052 C -2.84428354955346 -6.92929093314946 3.81186753442631 H -1.72194484641128 -6.69652756760539 5.61404102909279 H -0.98230810923895 -5.88845615703575 4.22079715622758 H -3.62231143189810 -7.37785641677304 4.43344007944710 H -2.27398291282053 -7.73974655012942 3.33103818828899 H -6.79584530241143 -6.50680498005790 2.89691874437835 H -5.76146025138643 -7.13007131727882 4.18930851045827 H -5.00796964988123 -6.14136912076739 1.41390921455781 H -4.61440484417708 -7.72546327452372 2.13353194638706 H -2.21185516962612 -4.09741106210345 0.43816140005574 H -3.80049952361955 -4.83751297605600 0.19088536069911 H -1.58814354966293 -5.55457078238546 2.13492176012113 H -2.48040090003056 -6.64134163285838 1.04078164215806 C -4.02167644183933 -2.09387145005314 -0.05942232926888 C -3.72635293385133 -2.25005779715132 1.43836215272600 C -2.44419809010614 -1.44147795426481 1.83744677777748 C -1.15690045667842 -2.10364343648494 1.47674851263581 C -0.58078036349866 -3.02185283314576 2.35641550483663 C 0.58658318322086 -3.68022384088334 2.02961429448378 C 1.22274297165360 -3.43961888449348 0.80805534148391 C 2.48154755595845 -4.14534222050076 0.45665987098391 Cl 3.92634546080598 -3.22609211900874 1.10151452823314 C 0.67444416520841 -2.48796289501576 -0.05017313471356 C -0.49293083556731 -1.82942183334068 0.27836598569175 C -7.74637848900617 -5.24606041783860 5.21468267943535 C -6.84949416778613 -4.39073834270930 4.30982904866785 C -7.64024299652564 -3.87545479879004 3.07218059751363 C -8.82556951149715 -3.04822821776726 3.45953819883839 C -10.11095478779324 -3.58146733459548 3.43615842607375 C -11.20159695374559 -2.82682655626157 3.82254795337863 C -11.03764354604043 -1.51012038851861 4.24167129483546 C -12.21120902695227 -0.70299359927004 4.68079036511391 Cl -12.50388980350872 -0.95272438107498 6.45642540402045 C -9.75301272341297 -0.97360130064465 4.26886261151306 C -8.66508349249439 -1.73117229269911 3.88083009431614 C -0.78448700642599 -4.47047752604756 6.72686432901638 C -2.25693873014971 -4.28558976896101 6.33410047564358 C -3.20572116234350 -4.73976297936903 7.49342982923501 C -3.29082795351883 -6.22089107161628 7.65142303770678 C -2.42073644085413 -6.93169572365792 8.47659195292869 C -2.48867683942881 -8.30830222450957 8.55700318297335 C -3.44039910698335 -9.01931251570132 7.82675766578833 C -3.48697155710268 -10.50350612793311 7.87711679678849 Cl -2.49581240277468 -11.20164737211512 6.51098792282109 C -4.32751051238586 -8.30862734291611 7.01853502671205 C -4.25376482940118 -6.93355378275631 6.93732386100770 H -4.89122997109715 -2.68759374459509 -0.33513691007127 H -4.24108926186635 -1.05066122423429 -0.27368172476812 H -3.17651256713448 -2.39889758373341 -0.67044122936003 H -4.55467643875936 -1.77655546537906 1.98580055843560 H -2.50952523396596 -0.45566029146671 1.37434815507597 H -2.49148007128003 -1.33695388068077 2.92570072069114 H -1.08005447427240 -3.21426752506407 3.30426765602293 H 1.02694382263634 -4.38565577529711 2.72092538614505 H 2.64174058198004 -4.20344886416338 -0.61811038322734 H 2.55070759142056 -5.13099195303544 0.91280330433346 H 1.17319524355268 -2.26666741277373 -0.98311378105555 H -0.90011004699885 -1.09355452946547 -0.40014085927250 H -8.55386825113989 -4.63178517465912 5.60538924880619 H -8.18421300016904 -6.08253796175757 4.67546256359462 H -7.17290585911880 -5.63169842353980 6.05495310382056 H -6.53779036221052 -3.50826241408301 4.88409101116639 H -6.93451184184400 -3.27908357869540 2.48188018455633 H -7.97054939620409 -4.72649929431975 2.47360382623140 H -10.26064495105291 -4.60101542145598 3.11107823230638 H -12.19165089563053 -3.25948883688623 3.79997260828789 H -12.04746182398073 0.36628323085511 4.55953518648388 H -13.13212961344251 -1.01065659413917 4.18873621240141 H -9.61049509494836 0.04721981746380 4.59369020731759 H -7.67399646749299 -1.30018720691195 3.90116240593898 H -0.56177011956480 -3.83463948763427 7.58047120739512 H -0.13929206483818 -4.16956066257075 5.90378681078854 H -0.55485344388545 -5.49761865009603 6.99651127588362 H -2.42786573650053 -3.20493753587035 6.22977318218687 H -4.19612025774392 -4.34194988241599 7.25015738030994 H -2.85220413173689 -4.27622815920488 8.41578236375861 H -1.68516717916707 -6.39925683196529 9.06194320833886 H -1.80073704689067 -8.84441925795828 9.19519238515004 H -4.49034170336933 -10.89761095554257 7.72738511616511 H -3.04418112092783 -10.90542321563718 8.78619849337041 H -5.07804337370712 -8.84881799617206 6.45776099372512 H -4.94234521310671 -6.37874037298792 6.31249234321820 N -3.96450772691626 -2.47576821239817 4.54738034998295 H -4.04820076121229 -1.57458275217943 5.00937719809774 94 energy: -132.580324036865 gnorm: 0.001962962781 xtb: 6.5.1 (b24c23e) N -3.66415008369828 -3.62262503652709 1.90341092858722 C -3.06603248522522 -4.54589109764722 0.96304708719250 C -2.56995766806896 -5.77787200616512 1.71995509941729 N -3.47788869709978 -6.06708637752133 2.82326193934889 C -4.72448095755448 -6.65325475164275 2.33751013957426 C -5.81471123125099 -6.38925215457415 3.37270077322209 N -5.62504481676319 -5.04664913777025 3.88432276240033 Mo -3.92237423551428 -4.07967819263857 3.79767297527031 N -2.62786636486321 -4.87077203325313 5.06199760587484 C -1.94342996724805 -6.09834882809520 4.72310520657669 C -2.84237631487061 -6.93160836190687 3.81142079425643 H -1.72006646086231 -6.69893585120818 5.61332547566666 H -0.98040086821778 -5.89084399770216 4.22031323630131 H -3.62065186730224 -7.37974468700858 4.43300422752949 H -2.27253490019510 -7.74213725677537 3.33040171359874 H -6.79354323428048 -6.50981633556975 2.89089978781268 H -5.76160283711449 -7.13550302532723 4.18407533743481 H -5.00363403658507 -6.14461699813728 1.41084024971775 H -4.60961745166428 -7.72832508060543 2.13078965511690 H -2.21168117461892 -4.09811321731823 0.43781595553319 H -3.79792803030438 -4.84260901214572 0.19015231620667 H -1.58634906196504 -5.55031397497246 2.13837109742094 H -2.47148441009572 -6.64209550983934 1.04340905501957 C -4.02794184538330 -2.09990741530150 -0.06017051163360 C -3.73228733012511 -2.25464788578431 1.43756008300175 C -2.45260121084653 -1.44183879204251 1.83675820228548 C -1.16372622497255 -2.10134752700530 1.47720951432491 C -0.58569541870527 -3.01720824821761 2.35821779919439 C 0.58266527065465 -3.67421762458185 2.03239976871805 C 1.21826637050223 -3.43447219150788 0.81016377143815 C 2.47849055597214 -4.13808117611170 0.46051515512556 Cl 3.92095238995496 -3.21963202717648 1.11251804392042 C 0.66774784734057 -2.48553372231482 -0.04967124418199 C -0.50075546593489 -1.82844072842166 0.27788844161257 C -7.74647792439672 -5.25214675112998 5.21021884907267 C -6.84787888066786 -4.39549602429828 4.30827896482413 C -7.63704683657217 -3.87588835207055 3.07148897732606 C -8.82087831672212 -3.04686412970625 3.45976497513388 C -10.10769675518749 -3.57639724076626 3.43270342997932 C -11.19701768334851 -2.81983789910648 3.81917046703593 C -11.03035984781358 -1.50468315591320 4.24224713817601 C -12.20218753528241 -0.69620279481965 4.68261330755192 Cl -12.49545050011547 -0.94975561401919 6.45817288568816 C -9.74417305922669 -0.97190270887069 4.27346921231480 C -8.65761928128164 -1.73143095117535 3.88538746061155 C -0.78454451684756 -4.47487354433260 6.72800085293048 C -2.25578804814793 -4.28697656577487 6.33261224079581 C -3.20685759040201 -4.73782576486087 7.49104636142560 C -3.29243950315272 -6.21875921202996 7.65089401103914 C -2.42164317944637 -6.92886482341902 8.47608337018579 C -2.48927472194357 -8.30541877262199 8.55754149636808 C -3.44188183736393 -9.01706820455544 7.82887398758950 C -3.48886545229340 -10.50102999064818 7.88074957299084 Cl -2.49506561416243 -11.20099279608746 6.51715700993367 C -4.32915897387677 -8.30715428777789 7.02006102315249 C -4.25516013204949 -6.93217331431762 6.93725996771792 H -4.89546032546130 -2.69667457540894 -0.33559542797362 H -4.25069755365675 -1.05759810456603 -0.27533297724409 H -3.18171656365201 -2.40270810187315 -0.67076492701412 H -4.56199275736062 -1.78353967157525 1.98485941290911 H -2.52060401829611 -0.45632106187769 1.37301941262106 H -2.50059472976175 -1.33626742691328 2.92509208642249 H -1.08453024868978 -3.20882685904377 3.30656981306397 H 1.02425185597976 -4.37793536995092 2.72474374642809 H 2.64232870484083 -4.19317920055275 -0.61386068124541 H 2.54733543838001 -5.12503967683362 0.91414498667241 H 1.16573318434546 -2.26575203609620 -0.98344594513726 H -0.90976129287166 -1.09491100003758 -0.40212020886254 H -8.55254677108178 -4.63794884379793 5.60378954416543 H -8.18602696474860 -6.08574574153897 4.66798894251657 H -7.17325311771848 -5.64212216228176 6.04868703681892 H -6.53562950446762 -3.51481400690588 4.88500083365447 H -6.92985154586558 -3.27960759769288 2.48257150600192 H -7.96854893130350 -4.72504602838362 2.47074584963868 H -10.25960915725918 -4.59480473456915 3.10488135213596 H -12.18822856376582 -3.24974247098569 3.79348383673404 H -12.03668897527402 0.37311775347223 4.56436451202675 H -13.12408039962832 -1.00062968200437 4.19017471915756 H -9.59948461966174 0.04768873611961 4.60145218710538 H -7.66536628543173 -1.30311997452091 3.90937851457148 H -0.56193134423906 -3.84006580017038 7.58253447984414 H -0.13701001312567 -4.17512656812432 5.90639620329069 H -0.55782218017302 -5.50265536588993 6.99765810796924 H -2.42419024966111 -3.20609273270882 6.22674214539028 H -4.19668833561765 -4.33989257578334 7.24590474910516 H -2.85456057560025 -4.27293504980284 8.41318631064349 H -1.68542900324275 -6.39581945584673 9.06032659373417 H -1.80034765255307 -8.84118495003099 9.19514380877288 H -4.49205557392648 -10.89513716256671 7.72941761770396 H -3.04806722483042 -10.90260259768600 8.79101264174161 H -5.07991064504358 -8.84795306758173 6.46004139021725 H -4.94340168213380 -6.37792987844916 6.31147284121162 N -3.96715259016195 -2.47938562031376 4.54637793191304 H -4.04917538006542 -1.57766717611012 5.00773604856815 94 energy: -132.580406473264 gnorm: 0.002063788353 xtb: 6.5.1 (b24c23e) N -3.67101758763025 -3.63183387990950 1.89938440704974 C -3.06601795090926 -4.55257111257569 0.96015468368740 C -2.56126485095750 -5.77653327629716 1.72109238931601 N -3.47341036934894 -6.07285775240128 2.82018740248207 C -4.71736529926238 -6.66242576219229 2.32923618694597 C -5.81057224877989 -6.40163472116537 3.36132606493841 N -5.62135736836613 -5.06139725839900 3.88007323544597 Mo -3.92212619270913 -4.09025668285504 3.79537176386083 N -2.62721729574464 -4.87967872064463 5.06047159848548 C -1.94214375871683 -6.10711616587461 4.72210876759796 C -2.83822791727493 -6.93901879943345 3.80786444511307 H -1.72110520525873 -6.70898987522602 5.61221848405359 H -0.97754137544832 -5.89911933761429 4.22279618518626 H -3.61753743167479 -7.38902459892118 4.42677912704468 H -2.26761224319742 -7.74728281670492 3.32483819191437 H -6.78851521713000 -6.51859639859328 2.87633860763181 H -5.76137931732976 -7.15149471511679 4.16979004691619 H -4.99421851371590 -6.15460674858988 1.40154620186238 H -4.59757808395931 -7.73664583665928 2.12255901908654 H -2.21556496141784 -4.09905746582240 0.43387430133803 H -3.79534773436568 -4.85627031933767 0.18789872436050 H -1.58381074138875 -5.53559814354616 2.14677396981774 H -2.44753886202446 -6.64230247091793 1.04916576237476 C -4.04387625989263 -2.11351981481803 -0.06418217938974 C -3.74975892471813 -2.26536994374439 1.43368086355623 C -2.47601048724701 -1.44154852830895 1.83355281874359 C -1.18319688282858 -2.09401365164027 1.47828575083496 C -0.59991143938193 -3.00319153211618 2.36338269392108 C 0.57157550219470 -3.65560296727401 2.04109590774382 C 1.20573461395764 -3.41894016858282 0.81671491784985 C 2.46999767391647 -4.11656369873036 0.47258250732974 Cl 3.90567583633778 -3.19887593881097 1.14278536708636 C 0.64898032526253 -2.47819491949482 -0.04804467905019 C -0.52255179879669 -1.82494437978076 0.27662488988532 C -7.74623628959054 -5.27078207744289 5.19863046010146 C -6.84347199321487 -4.41010447812722 4.30466998313737 C -7.62711184135507 -3.87986950546353 3.06943187732712 C -8.80618893916334 -3.04508122895322 3.45982359985584 C -10.09719639665855 -3.56338223813244 3.42162972032768 C -11.18220329217730 -2.80080998910807 3.80871988172976 C -11.00682624897106 -1.49056795087034 4.24376561786082 C -12.17357192233400 -0.67781590226937 4.68772212500427 Cl -12.46890894596725 -0.94239168895430 6.46232014492394 C -9.71606169845584 -0.96914932790576 4.28695415797748 C -8.63395050489502 -1.73477665490337 3.89847342868552 C -0.78561823651719 -4.49028832535467 6.72972655973272 C -2.25381698795377 -4.29210500449011 6.32917984100607 C -3.20928752271724 -4.73223023838451 7.48797823175788 C -3.29776508678202 -6.21233009502978 7.65334972773896 C -2.42496279706601 -6.92078174303800 8.47805721462845 C -2.49159145097038 -8.29727237926388 8.56163617364304 C -3.44705600593111 -9.00992145577261 7.83748323153890 C -3.49369842244454 -10.49363535865666 7.89106295627252 Cl -2.49266861561846 -11.19363709184644 6.53308739829958 C -4.33571877910722 -8.30173503272361 7.02853227269796 C -4.26070280953404 -6.92712472085006 6.94143916954219 H -4.90631498415438 -2.71686957859946 -0.34095058458285 H -4.27375417318665 -1.07307678263351 -0.28108360923025 H -3.19434321620870 -2.41074635106015 -0.67290044556352 H -4.58323059743685 -1.80007260975823 1.97992696835827 H -2.55096021123683 -0.45741798864223 1.36705165372650 H -2.52702428306386 -1.33222052493333 2.92187085399286 H -1.09826543577726 -3.19227258171702 3.31280310611639 H 1.01730548157961 -4.35380974486875 2.73649613149089 H 2.64362708072414 -4.16449524628936 -0.60058076673547 H 2.53855757812899 -5.10645095952286 0.92043115105436 H 1.14469596611876 -2.26296875415281 -0.98443977324941 H -0.93618747991996 -1.09765227008336 -0.40751472798527 H -8.54854612359069 -4.65692128544652 5.60015106453506 H -8.19067892546115 -6.09641057467023 4.64801558109403 H -7.17342219515584 -5.67268980676096 6.03194208230940 H -6.53026826606659 -3.53404217669895 4.88810046824827 H -6.91539907338123 -3.28492307385151 2.48394942013111 H -7.96243328667013 -4.72398034181213 2.46344271474930 H -10.25569265888692 -4.57820652091757 3.08534706303624 H -12.17698132498942 -3.22202631338794 3.77435333046034 H -12.00258695815368 0.39149715650308 4.57774564603346 H -13.09788243915405 -0.97279342979375 4.19345103122843 H -9.56463926616495 0.04650125605395 4.62465759907141 H -7.63802852530843 -1.31523731526077 3.93302150459975 H -0.56132384150224 -3.85845871280595 7.58636652258055 H -0.13205973655222 -4.19515460707566 5.91140745529373 H -0.56833323832755 -5.52014297129148 6.99952352198203 H -2.41454911673825 -3.21046294934078 6.21874652428346 H -4.19754684374467 -4.33207588258970 7.24079388105036 H -2.85626602541581 -4.26400286844836 8.40816895421687 H -1.68681458291313 -6.38632067410181 9.05922995584945 H -1.79940725098694 -8.83256525128487 9.19666944279397 H -4.49612187560588 -10.88846123376771 7.73540433688582 H -3.05762660040284 -10.89513154472518 8.80384692175930 H -5.08753237351740 -8.84429598865578 6.47146007888102 H -4.94733650148359 -6.37366316777824 6.31318307630513 N -3.97052646093694 -2.48795679760296 4.53859011681077 H -4.04859907921517 -1.58228964258959 4.99208654961027 94 energy: -132.580427367535 gnorm: 0.001171685278 xtb: 6.5.1 (b24c23e) N -3.67178759240163 -3.63148146290686 1.89927421376035 C -3.06689703598964 -4.55239387276906 0.95999549339329 C -2.56258646176662 -5.77727907699345 1.72046791727110 N -3.47391692857602 -6.07343276135911 2.81994697880664 C -4.71785573663408 -6.66309288735783 2.32962430053938 C -5.81071221970168 -6.40227611469759 3.36215750389331 N -5.62120542135603 -5.06207039136612 3.88095411002376 Mo -3.92186402683547 -4.09018368042046 3.79553992400244 N -2.62757867133999 -4.88011456895148 5.06072440053753 C -1.94318519963318 -6.10825323178495 4.72296803550250 C -2.83882425112962 -6.93965529561776 3.80753050683281 H -1.72381388577407 -6.71023398237033 5.61336618980829 H -0.97784985671855 -5.90106241307456 4.22452964987361 H -3.61834839231874 -7.39037351112124 4.42563360658028 H -2.26723562902052 -7.74751323366482 3.32472125618246 H -6.78861240041347 -6.51878320520316 2.87747907538881 H -5.76118117005987 -7.15190709009481 4.17071772606478 H -4.99513401143723 -6.15553896629075 1.40196959579486 H -4.59864323941623 -7.73755138605222 2.12331822546203 H -2.21611091806578 -4.09907854827626 0.43388361938541 H -3.79651197197487 -4.85569746667306 0.18775168230174 H -1.58462938087228 -5.53767659542577 2.14556076880165 H -2.45032343461750 -6.64227135684849 1.04736897353930 C -4.04446830189255 -2.11320046744135 -0.06543455691559 C -3.75032698159534 -2.26511413039360 1.43249675632895 C -2.47684437974750 -1.44088068901612 1.83189351199646 C -1.18395866404964 -2.09337005315615 1.47750221603205 C -0.60064807127342 -3.00166482355859 2.36329672315945 C 0.57136255078558 -3.65318679901928 2.04161026139998 C 1.20568224721500 -3.41690067272222 0.81740668312274 C 2.46993499573851 -4.11469424704811 0.47315586183581 Cl 3.90530371024328 -3.19611899523605 1.14237373739702 C 0.64916102872732 -2.47653930368811 -0.04770661254387 C -0.52272068911155 -1.82385502948731 0.27646310377385 C -7.74736321675837 -5.27250928545205 5.19798105091164 C -6.84397708498958 -4.41158265778273 4.30511352358637 C -7.62665063610498 -3.88147867712962 3.06942765741861 C -8.80525269351784 -3.04597607041020 3.45942078256613 C -10.09640465351088 -3.56345714696698 3.42074199236339 C -11.18078431930701 -2.80047044134642 3.80853909992195 C -11.00445552697222 -1.49088302121886 4.24456856553849 C -12.17092124089908 -0.67703250110434 4.68807180563821 Cl -12.46777024193311 -0.94106286422806 6.46195107556057 C -9.71362169093430 -0.97024742404236 4.28778273893461 C -8.63214209198744 -1.73620275473502 3.89855266625830 C -0.78469908587059 -4.49031387000128 6.72897465180539 C -2.25325147367543 -4.29277808041713 6.32916507460995 C -3.20843397746030 -4.73271280150313 7.48864450027256 C -3.29780511412597 -6.21263538238279 7.65407541434669 C -2.42613149062813 -6.92114110191659 8.47960097433723 C -2.49323885009219 -8.29755108327576 8.56328343677817 C -3.44793415817417 -9.00993029818936 7.83826254489505 C -3.49409431276720 -10.49389154026500 7.89143423110552 Cl -2.49279742704859 -11.19272593851893 6.53351792910106 C -4.33636390932926 -8.30150595644974 7.02938814292602 C -4.26112896162106 -6.92696632568445 6.94231856833565 H -4.90712139131216 -2.71617426916630 -0.34248253559983 H -4.27416674509922 -1.07258495200622 -0.28187669688439 H -3.19500289539537 -2.41025853933367 -0.67432514500658 H -4.58397487480346 -1.79975359176959 1.97850733991043 H -2.55146815917645 -0.45752096437764 1.36435037956350 H -2.52845680136158 -1.33109343325440 2.91978105996715 H -1.09916023110768 -3.19075668441518 3.31247217714463 H 1.01758686729975 -4.35047065159074 2.73741380452347 H 2.64282679173366 -4.16281828866488 -0.60009799744441 H 2.53879938425997 -5.10419614684800 0.92143380568690 H 1.14494471780812 -2.26087197281089 -0.98385120464708 H -0.93619989089918 -1.09664877717728 -0.40766676998446 H -8.55022921996503 -4.65862245934701 5.59854849640479 H -8.19129904788407 -6.09806929269596 4.64710042291264 H -7.17572474039725 -5.67443108260798 6.03182183730678 H -6.53164271818540 -3.53555865437655 4.88899028956355 H -6.91412723498287 -3.28714925188026 2.48467224969015 H -7.96232442618171 -4.72542402726760 2.46364045814589 H -10.25545595826025 -4.57750654654079 3.08293829715115 H -12.17576433328554 -3.22082380412523 3.77395677841854 H -11.99853075058665 0.39199355847320 4.57757563554992 H -13.09464190812033 -0.97157689634059 4.19284255994502 H -9.56151256618626 0.04473738333069 4.62652474316228 H -7.63609207440535 -1.31756303008716 3.93260172803636 H -0.56023296694673 -3.85767363268490 7.58475529886190 H -0.13196762757881 -4.19547642536546 5.90994506623512 H -0.56670134181906 -5.51978783034253 6.99933252441091 H -2.41425355820198 -3.21117883857873 6.21871051632827 H -4.19649717270357 -4.33191557997550 7.24122375724434 H -2.85479161652063 -4.26473935470312 8.40877269423887 H -1.68881317807834 -6.38688297229164 9.06155930990472 H -1.80197109822581 -8.83277251646731 9.19903778790569 H -4.49633592843038 -10.88890296399053 7.73573118760923 H -3.05772533686950 -10.89490810802774 8.80422220444520 H -5.08816278103045 -8.84386079512662 6.47235922690797 H -4.94766642826267 -6.37328710814460 6.31430314305533 N -3.96899054977546 -2.48655609541114 4.53618470500909 H -4.04252366033157 -1.58155287090507 4.99239999778458 94 energy: -132.580428013105 gnorm: 0.004196908577 xtb: 6.5.1 (b24c23e) N -3.67687423644495 -3.62857382858547 1.89826720723253 C -3.07256703348951 -4.55093270820489 0.95939596151500 C -2.57015056475020 -5.78070325147568 1.71699206230368 N -3.47696287626671 -6.07713957997484 2.81861410049557 C -4.72102476938747 -6.66704087608708 2.33152890827982 C -5.81163639165011 -6.40653231006498 3.36674120434566 N -5.62064997403997 -5.06668575411673 3.88660459420678 Mo -3.92078380868102 -4.09041272332676 3.79620232292365 N -2.63073164442302 -4.88424397339470 5.06193620536851 C -1.94929789553282 -6.11550052333832 4.72735080769083 C -2.84198364284458 -6.94413192295984 3.80519773421867 H -1.73894748175584 -6.71794435297532 5.61946066273925 H -0.97992198936659 -5.91210598980425 4.23439044329336 H -3.62237006109858 -7.39948548100089 4.41872816594924 H -2.26539994113402 -7.74916044057152 3.32259150719357 H -6.78965385184014 -6.52095314357399 2.88399731723466 H -5.76020726285361 -7.15562991644490 4.17524129778733 H -5.00091632008929 -6.16045299537029 1.40433297537761 H -4.60399831790145 -7.74239616839046 2.12629165962740 H -2.22013307714583 -4.09878248494727 0.43422845999784 H -3.80313211651708 -4.85207320886648 0.18685107953501 H -1.58910518159388 -5.54815786018340 2.13833138278919 H -2.46582622891368 -6.64187523275326 1.03783362629566 C -4.04823482430420 -2.11190046002262 -0.07241227730129 C -3.75451242565627 -2.26285869237892 1.42607582572541 C -2.48210772438826 -1.43646173020165 1.82265623188789 C -1.18825746980986 -2.08868792346366 1.47320421450657 C -0.60495903572973 -2.99277299818336 2.36265870546504 C 0.57012857665545 -3.63973443534934 2.04450610816339 C 1.20566981027497 -3.40507434346673 0.82129773069431 C 2.47052799048177 -4.10309071494272 0.47730664857890 Cl 3.90460421373627 -3.17977740807489 1.14028606861563 C 0.65029701865449 -2.46688463741400 -0.04606384963879 C -0.52368741372258 -1.81699028176115 0.27521540796866 C -7.75387565683833 -5.28301167449794 5.19439577380928 C -6.84666884737600 -4.42010521434518 4.30806640869238 C -7.62340720620096 -3.89070457703358 3.06908224312379 C -8.79940372575773 -3.05121299125229 3.45678160926589 C -10.09180003142244 -3.56383028383067 3.41495409400764 C -11.17267939191255 -2.79810744896980 3.80662898611550 C -10.99040824273533 -1.49221682822034 4.24891053024264 C -12.15509482611220 -0.67237529737447 4.69067527828647 Cl -12.46006904594141 -0.93413303438311 6.46041708138884 C -9.69867526502758 -0.97638736152844 4.29349855765248 C -8.62068092482368 -1.74457413667526 3.90001775510758 C -0.78056492951390 -4.49100599731789 6.72337052425168 C -2.25123413977794 -4.29661291028189 6.32828953593029 C -3.20383570053749 -4.73481799225685 7.49238950544292 C -3.29847544566639 -6.21380919005847 7.65902692917918 C -2.43285232318503 -6.92266688915938 8.48938726929524 C -2.50277925407234 -8.29885726111793 8.57384023355958 C -3.45342219872694 -9.00977439313661 7.84371188629194 C -3.49668435651446 -10.49506523987943 7.89396445448477 Cl -2.49379135015791 -11.18681528888232 6.53623086173885 C -4.34018209459738 -8.30017644072957 7.03449835705780 C -4.26352566505754 -6.92590277726527 6.94747634186125 H -4.91190641682034 -2.71287614824949 -0.35098039679403 H -4.27662882185685 -1.07048163737035 -0.28723808348798 H -3.19895898485881 -2.40862572645132 -0.68173743533927 H -4.58888682986441 -1.79687075014467 1.97074939636636 H -2.55563702280444 -0.45710913888057 1.34896964073348 H -2.53621389014119 -1.32290516700822 2.90857100961714 H -1.10487347149257 -3.18226653939418 3.31038730593497 H 1.01883165820123 -4.33228999718972 2.74277213012802 H 2.63955209586986 -4.15333979595562 -0.59638921946370 H 2.54111344609675 -5.09051509030843 0.92839269438298 H 1.14700193137299 -2.24882645892477 -0.98074212172181 H -0.93642008853845 -1.09033307798136 -0.40926313783483 H -8.56012748404815 -4.66932847228700 5.58942199619600 H -8.19457974144845 -6.10817378354732 4.64109295987156 H -7.18893417742887 -5.68522795448558 6.03168969096155 H -6.53917715957400 -3.54425026247794 4.89463028482888 H -6.90646093079485 -3.29995494598673 2.48751889430539 H -7.96102723870634 -4.73398075024327 2.46439291397325 H -10.25425914067626 -4.57423168482371 3.06979255402370 H -12.16914434612452 -3.21352312290143 3.77063038995630 H -11.97464340807882 0.39512683133284 4.57819523950485 H -13.07615735367640 -0.96326946313400 4.18979119864454 H -9.54240192152176 0.03529064046725 4.63786728700720 H -7.62325403342624 -1.33140670664846 3.93272874852985 H -0.55415497251301 -3.85355183932246 7.57429619506762 H -0.13236137242221 -4.19853575801482 5.90000798622928 H -0.55909616647918 -5.51853659496676 6.99732536198536 H -2.41374759455354 -3.21522239017945 6.21738653431451 H -4.19096120760970 -4.33030334029837 7.24552922439884 H -2.84571899259050 -4.26789924386584 8.41143545467174 H -1.69898086500511 -6.38941437052321 9.07499148182048 H -1.81642838204444 -8.83391902138912 9.21386353848738 H -4.49794175849201 -10.89140560757549 7.73793343909892 H -3.05896709851124 -10.89413273195574 8.80671916671200 H -5.09186599248558 -8.84151043645028 6.47723583585616 H -4.94899342421871 -6.37112369816784 6.31987537815085 N -3.94790584189626 -2.48758443340758 4.54061511482298 H -4.01969042734465 -1.56931875142491 4.97285363020907 94 energy: -132.580471049331 gnorm: 0.002597827657 xtb: 6.5.1 (b24c23e) N -3.67782408883227 -3.62945356965163 1.89752527892691 C -3.07294852919068 -4.55149710730086 0.95894361410800 C -2.57008252951365 -5.78074869808266 1.71657468843424 N -3.47720185891762 -6.07737808095549 2.81812356083469 C -4.72127405989130 -6.66761051013291 2.33112675460305 C -5.81138469956686 -6.40785621432791 3.36687725913127 N -5.62063769900640 -5.06815011973739 3.88726648655534 Mo -3.92153732590653 -4.09023180398153 3.79616625262997 N -2.63172664627425 -4.88449338480992 5.06245671202437 C -1.95000476478322 -6.11533594549763 4.72733592709610 C -2.84196858892990 -6.94415681827157 3.80486049134666 H -1.73955519821642 -6.71801946993691 5.61933396987023 H -0.98053622109231 -5.91167514970882 4.23495270100318 H -3.62212446666540 -7.40021094740711 4.41816867982384 H -2.26545170491955 -7.74875221293193 3.32172883148700 H -6.78976967151968 -6.52269692139972 2.88450041031123 H -5.75968696827468 -7.15753970852221 4.17490515990512 H -5.00169969246480 -6.16075456804108 1.40417252798937 H -4.60329783819371 -7.74264125730700 2.12522384704253 H -2.22069506732791 -4.09896454027963 0.43405377984952 H -3.80293197312146 -4.85283527931433 0.18607223092526 H -1.58898823396110 -5.54769476533145 2.13776124424416 H -2.46546506410685 -6.64243879854365 1.03801166040096 C -4.04933326398383 -2.11315591709241 -0.07267301385214 C -3.75592067980558 -2.26364409758902 1.42588717814760 C -2.48370226643661 -1.43638937988978 1.82224466978181 C -1.18911305629168 -2.08772847555798 1.47293189889122 C -0.60566625389970 -2.99194612936027 2.36236950253888 C 0.56986276374360 -3.63869278462906 2.04456378541755 C 1.20572430106046 -3.40346923141696 0.82148169318331 C 2.47121157329143 -4.10075950085725 0.47819761255483 Cl 3.90520848281585 -3.17697281054101 1.14038014744622 C 0.64999085280741 -2.46559299306674 -0.04617966324190 C -0.52447040446261 -1.81597442301911 0.27477558542228 C -7.75428118457595 -5.28426115528747 5.19404164795933 C -6.84650992701056 -4.42118644860026 4.30810382644900 C -7.62272332339691 -3.89141463211016 3.06862554557426 C -8.79845039829750 -3.05154116035369 3.45628016532441 C -10.09131806794719 -3.56344917729165 3.41396521312532 C -11.17191580346734 -2.79708868270377 3.80563352957135 C -10.98874232970332 -1.49137212278841 4.24863873083803 C -12.15296588834068 -0.67125975542096 4.69103454452572 Cl -12.45796450516756 -0.93383421133792 6.46056368617389 C -9.69646358463859 -0.97637224405805 4.29434956831743 C -8.61873007115642 -1.74519662548421 3.90082185523788 C -0.78097064452905 -4.49187279949676 6.72257214798944 C -2.25175485300491 -4.29660441731926 6.32848686629182 C -3.20371550672958 -4.73441558956288 7.49300964875753 C -3.29875635538262 -6.21345313647337 7.66005348001589 C -2.43329292419244 -6.92247374249639 8.49077226325754 C -2.50354652153579 -8.29881322964530 8.57537306930085 C -3.45426486753790 -9.00960862995665 7.84488439334606 C -3.49751446294835 -10.49489062460566 7.89460737281833 Cl -2.49454781567093 -11.18600182920655 6.53677774123913 C -4.34047346030439 -8.30001481520196 7.03497981856640 C -4.26344579025828 -6.92564642320323 6.94787364348405 H -4.91277697555395 -2.71431328724608 -0.35128159241483 H -4.27765843996576 -1.07185422376323 -0.28812617058543 H -3.19983585634122 -2.41012606120656 -0.68158045301230 H -4.59033622048815 -1.79750399203350 1.97036526639325 H -2.55814641664297 -0.45688839667100 1.34820702966842 H -2.53702367108698 -1.32167934081878 2.90845005500471 H -1.10603328171432 -3.18182615754168 3.30996614751179 H 1.01842277380392 -4.33143795805746 2.74302140972146 H 2.64039585240472 -4.15201033753268 -0.59545043146861 H 2.54207672228667 -5.08810585197637 0.92984859511924 H 1.14708378695785 -2.24753611765933 -0.98079096555333 H -0.93744251103157 -1.08952566110219 -0.41006538408592 H -8.56080306166674 -4.67080787649132 5.58872666759923 H -8.19454291039649 -6.10947925736560 4.64008652189337 H -7.18958537373212 -5.68652760340852 6.03182120715377 H -6.53918688351576 -3.54539497219347 4.89504817694114 H -6.90559502031362 -3.30097287687765 2.48650883867410 H -7.96045968529475 -4.73480090223867 2.46389245021367 H -10.25435467203441 -4.57414657573712 3.06927876894899 H -12.16878842470071 -3.21199567052059 3.76922959585904 H -11.97199421856200 0.39625744007071 4.57937839235720 H -13.07454659654213 -0.96085389116254 4.18981205727180 H -9.53956336940961 0.03538599427094 4.63900604761326 H -7.62067050254235 -1.33278110857324 3.93482378670317 H -0.55341587518879 -3.85426513310877 7.57335159758715 H -0.13298534851115 -4.20002959202898 5.89870313945581 H -0.56002644456648 -5.51958809239067 6.99672331134831 H -2.41388344086464 -3.21521965341921 6.21773411609599 H -4.19085338745097 -4.32958301383079 7.24751392501299 H -2.84466083192693 -4.26743926824405 8.41154730310979 H -1.69870294301638 -6.38923617103732 9.07608006555773 H -1.81730127945648 -8.83413637911474 9.21573727093710 H -4.49881700617989 -10.89137512731407 7.73844200490495 H -3.06010142860187 -10.89461512926042 8.80731154930093 H -5.09206581091381 -8.84134866697478 6.47720626215761 H -4.94827896421093 -6.37085169621505 6.31943338074314 N -3.95313255892097 -2.48339808496500 4.53115355693260 H -4.01198459646528 -1.57289523916576 4.98008327633463 94 energy: -132.580489671450 gnorm: 0.000890913231 xtb: 6.5.1 (b24c23e) N -3.67801754557635 -3.63095906938600 1.89705642625404 C -3.07229480043701 -4.55230307329813 0.95867105464810 C -2.56841329931923 -5.77981743598032 1.71709778703311 N -3.47670616232597 -6.07699198150975 2.81810572734331 C -4.72063939875795 -6.66747055127950 2.33006604251686 C -5.81076215749212 -6.40894400484649 3.36582174258841 N -5.62064946000582 -5.06943552402395 3.88669205362735 Mo -3.92234410861472 -4.09085618783107 3.79601721202234 N -2.63251159027141 -4.88515131463670 5.06275668441412 C -1.94928993646737 -6.11443317210774 4.72622977935298 C -2.84109435475743 -6.94384964837178 3.80477426245341 H -1.73660441549237 -6.71745504569720 5.61758498743844 H -0.98077340140331 -5.90903891220356 4.23312196164149 H -3.62080042650197 -7.39982394795552 4.41873161912073 H -2.26544815657658 -7.74832954806661 3.32087526288738 H -6.78952043991420 -6.52467992550807 2.88346552089477 H -5.75897344784968 -7.15943578474014 4.17330570066384 H -5.00100897776656 -6.15971206966195 1.40348112632907 H -4.60120261044366 -7.74191673880661 2.12285151001933 H -2.22056693514124 -4.09898953376820 0.43382276297088 H -3.80143981360609 -4.85469243008404 0.18555564013322 H -1.58814242530057 -5.54450425641027 2.13918116602787 H -2.46131583801319 -6.64278355114119 1.04044813764073 C -4.05036517669777 -2.11513160887992 -0.07162870113456 C -3.75688103166361 -2.26515690645020 1.42685120236347 C -2.48479192974385 -1.43718774122969 1.82314649822818 C -1.18974433260705 -2.08765334204011 1.47297568931301 C -0.60608031078459 -2.99265929856347 2.36170809589843 C 0.56952795141146 -3.63963834859701 2.04393608865880 C 1.20579348946100 -3.40320429418692 0.82105195014918 C 2.47188701222850 -4.09956916154452 0.47861804372500 Cl 3.90538502915388 -3.17531950412459 1.14129629084113 C 0.64932952851201 -2.46539038930829 -0.04649036693591 C -0.52548558330465 -1.81604289501843 0.27429232437221 C -7.75351876236799 -5.28384681087386 5.19423330016887 C -6.84560365011259 -4.42130420454871 4.30751525789095 C -7.62261130711061 -3.89069610409148 3.06852274316179 C -8.79828775310808 -3.05088244110948 3.45662334896367 C -10.09148537015859 -3.56241022947630 3.41398619534268 C -11.17226291737850 -2.79564841979480 3.80467480207392 C -10.98909522917840 -1.48952753652254 4.24725764621395 C -12.15280985020207 -0.67009768594832 4.69089762724984 Cl -12.45612454215301 -0.93499258232886 6.46100834949708 C -9.69631010006133 -0.97499965511525 4.29415308545308 C -8.61840967304711 -1.74438391120273 3.90178320319620 C -0.78252458681796 -4.49296667960782 6.72281707682548 C -2.25298364499857 -4.29647783887344 6.32868118083604 C -3.20443745286947 -4.73359086973026 7.49319136242923 C -3.29874855561280 -6.21286573144704 7.66032890446456 C -2.43244768837515 -6.92200072922336 8.49047535875467 C -2.50266942144060 -8.29841031551671 8.57520599210373 C -3.45428507700898 -9.00930862405900 7.84545189241892 C -3.49841886980425 -10.49425945247941 7.89530616611169 Cl -2.49573666428813 -11.18618512433791 6.53729761774391 C -4.33992350079889 -8.29990944168509 7.03466869575588 C -4.26261509278075 -6.92545917929672 6.94736815187557 H -4.91329565794672 -2.71724223032006 -0.34952489227246 H -4.27913624514231 -1.07426424210587 -0.28847235201723 H -3.20061381208849 -2.41254984475439 -0.67997927070510 H -4.59113054573268 -1.79915974269690 1.97153517849197 H -2.56069255790906 -0.45677834847203 1.35008522091660 H -2.53710030735751 -1.32210714438705 2.90996330036761 H -1.10676843017580 -3.18294664265188 3.30935330950570 H 1.01721347945569 -4.33357834198079 2.74206928963496 H 2.64229933322356 -4.15170708893411 -0.59484993341737 H 2.54297114827087 -5.08703485647655 0.93070872576304 H 1.14665072956887 -2.24796859332747 -0.98131323108081 H -0.93889139338378 -1.08989377815742 -0.41093768638837 H -8.55961224036835 -4.67060418651210 5.58969311313157 H -8.19384321643720 -6.10923921290233 4.64023070679518 H -7.18769026915516 -5.68610061276488 6.03166769252969 H -6.53737714800501 -3.54563796726960 4.89429863438798 H -6.90592424174913 -3.29998357034486 2.48545768394740 H -7.96013131276987 -4.73416637183551 2.46335280569638 H -10.25476991985941 -4.57378086530010 3.07056111688738 H -12.16934469423575 -3.21056831858057 3.76761532429498 H -11.97280248145963 0.39778465363779 4.58096793550972 H -13.07560187753664 -0.95871449393133 4.19063051453586 H -9.53926303590265 0.03711688488186 4.63869894610654 H -7.61994254794361 -1.33205735744656 3.93782717218337 H -0.55393142746124 -3.85605789878162 7.57418910324993 H -0.13391624735866 -4.20170535688724 5.89917761881074 H -0.56303472900567 -5.52117107157683 6.99672427882884 H -2.41439270336909 -3.21505835734272 6.21762696091409 H -4.19195385226711 -4.32927304921091 7.24928645276864 H -2.84493345808222 -4.26634748455321 8.41136161479674 H -1.69676227716652 -6.38863826589335 9.07505234505410 H -1.81573990505098 -8.83404873121600 9.21509969817990 H -4.50003836225842 -10.89039894654974 7.73893873144188 H -3.06174389396826 -10.89525683467884 8.80795097217398 H -5.09118914047585 -8.84136828532343 6.47613725229202 H -4.94675267952697 -6.37083143688692 6.31774833869331 N -3.95679416432592 -2.48408200096203 4.53018182576919 H -4.01568914929101 -1.57496824298051 4.98073326019171 94 energy: -132.580507417166 gnorm: 0.001099451983 xtb: 6.5.1 (b24c23e) N -3.68000258803600 -3.63290404110956 1.89580716296026 C -3.07267204716202 -4.55341818023948 0.95794500015966 C -2.56733702456944 -5.77924816476087 1.71703072318199 N -3.47656182882922 -6.07749458298598 2.81743357208174 C -4.72017411145071 -6.66842995574589 2.32825397873212 C -5.80992145621578 -6.41251672549642 3.36473463037808 N -5.62078974652095 -5.07356190512350 3.88696518168911 Mo -3.92364347656784 -4.09270521069193 3.79570136406980 N -2.63529899564665 -4.88777345142642 5.06382002367755 C -1.94993099479080 -6.11502795966371 4.72548205374218 C -2.84046784058180 -6.94477352328278 3.80366238171595 H -1.73545541904716 -6.71900088599487 5.61595449304356 H -0.98205866427208 -5.90719545011342 4.23234960596102 H -3.61979107191421 -7.40193538409104 4.41724479622831 H -2.26457020628718 -7.74820644139159 3.31865594526813 H -6.78924760465976 -6.52924616202313 2.88298856288700 H -5.75708269841416 -7.16430041344784 4.17117313145992 H -5.00113854050877 -6.15898898748525 1.40269554095421 H -4.59890876796569 -7.74209309979470 2.11869383515299 H -2.22145973181866 -4.09888121102993 0.43337914327144 H -3.80061368653103 -4.85718268286359 0.18428538188040 H -1.58797317224185 -5.54157012053292 2.14014688594850 H -2.45761605923760 -6.64320169613095 1.04190498692405 C -4.05400025862748 -2.11868471311282 -0.07218420952822 C -3.76019213983278 -2.26740952497146 1.42632276734320 C -2.48858749433000 -1.43768433195669 1.82160638215625 C -1.19250797569563 -2.08634955190705 1.47147143575620 C -0.60854983737181 -2.99141516327408 2.36010597098476 C 0.56811650843825 -3.63727950230833 2.04357282896263 C 1.20568000520461 -3.39908326099504 0.82152247545725 C 2.47346182508467 -4.09326178839061 0.48112523502358 Cl 3.90493045273250 -3.16556734762706 1.14292199036816 C 0.64835117803467 -2.46202648994505 -0.04646574507490 C -0.52771962922619 -1.81413314359463 0.27300574195360 C -7.75404251133390 -5.28710863316980 5.19342363437180 C -6.84501634073552 -4.42468932597605 4.30733717255140 C -7.62149702451771 -3.89249302009237 3.06836360686429 C -8.79603973373398 -3.05132054499362 3.45669816848650 C -10.09033728620346 -3.56007554595564 3.41182237619503 C -11.17018688370461 -2.79157198724996 3.80195939810795 C -10.98498549174820 -1.48621964057671 4.24645212776596 C -12.14704597381275 -0.66594606245280 4.69178484862988 Cl -12.44991040788294 -0.93517058058246 6.46171982663510 C -9.69091284227733 -0.97454963455287 4.29625654854585 C -8.61400810557102 -1.74574778196066 3.90453718679025 C -0.78409069471294 -4.49537240575897 6.72165962113453 C -2.25458622505298 -4.29742114290251 6.32878954857319 C -3.20419336458581 -4.73266366181867 7.49487089688001 C -3.29882307074613 -6.21205045933182 7.66247780843385 C -2.43313043588431 -6.92143924484379 8.49321894876561 C -2.50410974167827 -8.29785214779115 8.57833196798689 C -3.45587885983079 -9.00844664758293 7.84818134518071 C -3.50119519638539 -10.49319903002357 7.89781446695085 Cl -2.49856966907907 -11.18506862282925 6.53979756035702 C -4.33972525513685 -8.29900791690068 7.03552893129662 C -4.26150851401336 -6.92453550394523 6.94788978479862 H -4.91635731578614 -2.72200067761842 -0.34911557362526 H -4.28342706722060 -1.07837183318868 -0.29071380008145 H -3.20394950148639 -2.41650699864518 -0.67995513367756 H -4.59443719795500 -1.80168545959032 1.97110960785744 H -2.56669790320923 -0.45707854396218 1.34842718547753 H -2.54004255834379 -1.32120053945913 2.90875803828111 H -1.11038168633600 -3.18270551185508 3.30721583257302 H 1.01508778891839 -4.33160544424833 2.74197767259297 H 2.64508012940306 -4.14770782339392 -0.59210620469495 H 2.54587434375245 -5.08003333394976 0.93514604784810 H 1.14670508015522 -2.24452123181746 -0.98086836057433 H -0.94161328819752 -1.08878449323493 -0.41301115871408 H -8.56028342991410 -4.67408101214441 5.58853285727327 H -8.19369559395902 -6.11254880388285 4.63872520543229 H -7.18833444453290 -5.68952362917448 6.03118417254575 H -6.53638089358375 -3.54949605244106 4.89475504556416 H -6.90413528116076 -3.30233950160420 2.48495082303790 H -7.95957634869982 -4.73556828745474 2.46260205784034 H -10.25534865581764 -4.57120303431020 3.06783282187541 H -12.16812919364324 -3.20465240662209 3.76299721514802 H -11.96589954946787 0.40211568175724 4.58491873914351 H -13.07113285090293 -0.95133157585057 4.19143090789931 H -9.53216671558947 0.03699192783024 4.64245470262969 H -7.61450399444268 -1.33545422219362 3.94371414760214 H -0.55321667859919 -3.85808590577246 7.57238712473441 H -0.13568354289754 -4.20613455007938 5.89710850489070 H -0.56631343551690 -5.52378990611909 6.99653657148434 H -2.41511747525579 -3.21599387341929 6.21667381695411 H -4.19213229105297 -4.32804407884836 7.25392922264482 H -2.84236097689532 -4.26536213440365 8.41208948005987 H -1.69682125582176 -6.38822642267494 9.07772427216664 H -1.81764179851524 -8.83395686020021 9.21871619426310 H -4.50318229974594 -10.88870500688324 7.74094541974078 H -3.06558050559614 -10.89562908509635 8.81047422298658 H -5.09030481737492 -8.84030949779160 6.47563356298861 H -4.94399497952520 -6.36983554233504 6.31631385223671 N -3.95827316364579 -2.48556737726336 4.52827920359588 H -4.01502792404311 -1.57570535726186 4.97676367192882 94 energy: -132.580531669937 gnorm: 0.001328088298 xtb: 6.5.1 (b24c23e) N -3.68338266677211 -3.63490093966169 1.89405772520921 C -3.07402692226483 -4.55460731320085 0.95678128252079 C -2.56721567749974 -5.77938163654495 1.71627879967202 N -3.47679409519601 -6.07900500951500 2.81606912639532 C -4.71989263704682 -6.67035513607706 2.32582032235538 C -5.80908670149613 -6.41778032004212 3.36353819219601 N -5.62085625882365 -5.07960719665398 3.88772287880579 Mo -3.92482299254059 -4.09538980239106 3.79524314680498 N -2.63930943745211 -4.89183512167619 5.06529244274634 C -1.95183041464647 -6.11730844170131 4.72531217502387 C -2.84041965322174 -6.94691673794171 3.80164913444679 H -1.73654341180340 -6.72257770228541 5.61482880549434 H -0.98409321817557 -5.90700841645920 4.23281609577838 H -3.61961354120321 -7.40617225003897 4.41381419113302 H -2.26299287393501 -7.74872343049670 3.31579366197436 H -6.78881522210983 -6.53512255584841 2.88262619949260 H -5.75455417013745 -7.17095082579890 4.16869873716165 H -5.00187482948846 -6.15875967247162 1.40176549188301 H -4.59726395228651 -7.74330334640176 2.11346165555216 H -2.22318709582782 -4.09870030944357 0.43264765440689 H -3.80080807543795 -4.85970495490991 0.18248506881399 H -1.58866238473167 -5.53986700999347 2.14030378992779 H -2.45538908899649 -6.64339214348108 1.04152421660781 C -4.05973664100027 -2.12276830607196 -0.07457757429063 C -3.76505414327237 -2.26995943685353 1.42398183437638 C -2.49424773025802 -1.43785286375411 1.81750314485131 C -1.19699262391452 -2.08455728226603 1.46852924303270 C -0.61279244588769 -2.98869465787773 2.35796902608759 C 0.56581706560321 -3.63206983399935 2.04376357390332 C 1.20540135131132 -3.39207443299142 0.82311257402751 C 2.47569510304956 -4.08312881454021 0.48556193966603 Cl 3.90355090764630 -3.14883396360114 1.14524732656588 C 0.64750082538476 -2.45628520416616 -0.04586421586863 C -0.53059515178407 -1.81093978571512 0.27125445454713 C -7.75583901082959 -5.29404008727069 5.19149741960907 C -6.84505588316603 -4.43110503860757 4.30759406072353 C -7.61980259709090 -3.89675399567126 3.06838072229318 C -8.79225320647460 -3.05283872774573 3.45659786505761 C -10.08824612966962 -3.55672351581314 3.40766778968588 C -11.16608011854905 -2.78546327235896 3.79808823868536 C -10.97699441600702 -1.48222157918744 4.24706992805556 C -12.13657264248649 -0.65951065187873 4.69406793674625 Cl -12.44111320954680 -0.93400860595172 6.46301192045745 C -9.68114045769368 -0.97538955166203 4.30083462193702 C -8.60635175936247 -1.74926579179708 3.90876938876688 C -0.78488981891567 -4.49830855907125 6.71933693453699 C -2.25582124780619 -4.29936088648916 6.32866069904023 C -3.20284577346332 -4.73180738175841 7.49761311510079 C -3.29888911321220 -6.21108768953616 7.66590054926009 C -2.43543053020220 -6.92070340174304 8.49857296947002 C -2.50778781979731 -8.29706033442552 8.58424439475567 C -3.45858736618599 -9.00700269054959 7.85235225248180 C -3.50523009005112 -10.49181056912388 7.90184051596757 Cl -2.50244583175301 -11.18353249004949 6.54438233618311 C -4.33982201089375 -8.29730123091221 7.03726732213447 C -4.26035561713737 -6.92288998094677 6.94918942331396 H -4.92166212719289 -2.72718536118677 -0.35048992591503 H -4.29009877803689 -1.08292062507716 -0.29418003397831 H -3.20961651057362 -2.42051813836775 -0.68230536890620 H -4.59941075596906 -1.80454566183071 1.96881593523735 H -2.57431849143466 -0.45804380713070 1.34292722520814 H -2.54555958947519 -1.31959415911062 2.90447221573703 H -1.11628924936245 -3.18123497898186 3.30403900616171 H 1.01255883408318 -4.32566390512291 2.74301181979275 H 2.64817643880355 -4.14061838415083 -0.58740862270001 H 2.55070956616609 -5.06830818435457 0.94274687198024 H 1.14747984540445 -2.23773226546488 -0.97918543966564 H -0.94472386696153 -1.08655264632695 -0.41563747807017 H -8.56287371746851 -4.68122035820135 5.58523417279320 H -8.19428015418885 -6.11928110829562 4.63556697492324 H -7.19167306315308 -5.69681155374310 6.03014707478496 H -6.53677016038190 -3.55677382689147 4.89651918417732 H -6.90059842669248 -3.30796952791666 2.48568954965205 H -7.95938473651250 -4.73882186748251 2.46201311052738 H -10.25627439278873 -4.56627584082944 3.06040262065175 H -12.16542939994586 -3.19482977761595 3.75585932768876 H -11.95188707118097 0.40836026239968 4.59101612062166 H -13.06144231092333 -0.93997730330468 4.19228210158245 H -9.51934243656206 0.03444257813522 4.65065390472759 H -7.60542963479122 -1.34277090250602 3.95136340692705 H -0.55145012693401 -3.85931864809048 7.56807748570291 H -0.13744247507276 -4.21219569571902 5.89296044996193 H -0.56851568413466 -5.52644157778046 6.99648969802457 H -2.41560127561893 -3.21797410420757 6.21485083755706 H -4.19104255679542 -4.32599778198508 7.25995691774108 H -2.83741462346989 -4.26471522435211 8.41355196131539 H -1.69966120683901 -6.38786515128085 9.08414431912956 H -1.82312948989304 -8.83354868886889 9.22625084201072 H -4.50756363152480 -10.88633147464548 7.74436883110661 H -3.07074454594057 -10.89491403316557 8.81477486771316 H -5.08936568717218 -8.83823980553799 6.47567567062550 H -4.94059831000208 -6.36788337853896 6.31542032874172 N -3.95722422632949 -2.48756396705106 4.52605712741438 H -4.01058651661680 -1.57458123800074 4.96868138345440 94 energy: -132.580565006567 gnorm: 0.000941137890 xtb: 6.5.1 (b24c23e) N -3.68862573734452 -3.63819731587872 1.89137130504775 C -3.07608949551629 -4.55668655336251 0.95483681273363 C -2.56699295045824 -5.78039943346021 1.71473988754937 N -3.47674674501011 -6.08211474526162 2.81356618870857 C -4.71902772511774 -6.67386859327538 2.32190230791792 C -5.80791109194772 -6.42588816439279 3.36105125839634 N -5.62092199603600 -5.08889894974989 3.88840616413775 Mo -3.92638667840474 -4.09983378129468 3.79433219803749 N -2.64452901703359 -4.89761443670307 5.06696944239663 C -1.95455008456409 -6.12122392724917 4.72526287504206 C -2.84038305347322 -6.95059342774498 3.79859686633304 H -1.73879678013484 -6.72808975947324 5.61361771909207 H -0.98673757967230 -5.90803924774682 4.23381916075927 H -3.61965428996457 -7.41261008239647 4.40851163692220 H -2.26041560351052 -7.75038090136765 3.31230382163161 H -6.78776838655791 -6.54348528918831 2.88077780874463 H -5.75138479724827 -7.18091896980825 4.16437022510853 H -5.00233276701788 -6.15931257880689 1.39997014401312 H -4.59506381388052 -7.74594824884403 2.10575140572911 H -2.22584164506500 -4.09869349046279 0.43135547081283 H -3.80134964038367 -4.86361557826521 0.17974674794804 H -1.58951432798930 -5.53846765536593 2.13984031244654 H -2.45244046201139 -6.64383430778263 1.03975121773269 C -4.06944888739404 -2.12909064474101 -0.07888857753961 C -3.77293283629576 -2.27407826936552 1.41966890687989 C -2.50342753830715 -1.43841670829008 1.81046382680164 C -1.20431250491050 -2.08232001798070 1.46393637308749 C -0.61972579472165 -2.98447518346141 2.35512537510636 C 0.56209950107786 -3.62354034601249 2.04462173921082 C 1.20478145140553 -3.38106839842078 0.82620122248991 C 2.47931822418865 -4.06666858209154 0.49312517884099 Cl 3.90074267500454 -3.12044365728868 1.14929297138312 C 0.64620996910929 -2.44744670000273 -0.04456066217737 C -0.53520546447933 -1.80639030367752 0.26879805514470 C -7.75874361973809 -5.30633831596414 5.18780290143297 C -6.84566543837376 -4.44172708988493 4.30799661652972 C -7.61741311243001 -3.90382937737340 3.06851167125943 C -8.78634053721036 -3.05519323520773 3.45663870932851 C -10.08510231564698 -3.55089287777216 3.40066051066387 C -11.15943022702353 -2.77520621287645 3.79211859968351 C -10.96373194873801 -1.47594958623430 4.24948010986224 C -12.11938921277420 -0.64881012714435 4.69862237557197 Cl -12.42835684809298 -0.93088911866498 6.46567795533586 C -9.66512115673313 -0.97711651188713 4.30948622339414 C -8.59395840448061 -1.75517382541478 3.91606446039838 C -0.78518102141606 -4.50229127297087 6.71587245693225 C -2.25675112984019 -4.30221513898245 6.32800172431268 C -3.20043841236910 -4.73052745406704 7.50112152811449 C -3.29909582467413 -6.20949891664908 7.67061433275106 C -2.43971335106365 -6.91923136274873 8.50694153520410 C -2.51418877697020 -8.29553579717839 8.59355396673342 C -3.46279349941935 -9.00452280825421 7.85836983464633 C -3.51168507197752 -10.48955897101763 7.90863218098123 Cl -2.50866359037131 -11.18270869775659 6.55297335422550 C -4.33998167501424 -8.29449345853725 7.03945730569591 C -4.25877540319778 -6.92020842375565 6.95064130637531 H -4.93066393117797 -2.73523380409546 -0.35334009374578 H -4.30190755841896 -1.08984466383463 -0.29912462628738 H -3.21945538641489 -2.42580026755491 -0.68731254874840 H -4.60761329436238 -1.80935689728102 1.96461923280194 H -2.58577771716596 -0.46033334671994 1.33313739034182 H -2.55510935219700 -1.31759414417905 2.89688207573638 H -1.12562054249439 -3.17877284350827 3.29958215496347 H 1.00907923377698 -4.31542941376660 2.74529929216663 H 2.65297580057907 -4.12848785921943 -0.57940996954255 H 2.55945026453144 -5.04898329904762 0.95541552799618 H 1.14858863756442 -2.22668979051796 -0.97604422388814 H -0.94965558625928 -1.08344054680307 -0.41932525132589 H -8.56722291896294 -4.69404521215189 5.57955907873451 H -8.19535408936455 -6.13093443793747 4.62958427364069 H -7.19733398143162 -5.70999813544388 6.02774492693931 H -6.53825738421414 -3.56903692055499 4.89979767895374 H -6.89508480626020 -3.31741887117860 2.48738225253808 H -7.95993060745240 -4.74400252075244 2.46130435638956 H -10.25815491575783 -4.55727694213197 3.04682587196044 H -12.16110608337228 -3.17811356501544 3.74430979794164 H -11.92808189526028 0.41845654032118 4.60148198574275 H -13.04488813041503 -0.92137614037068 4.19390188265532 H -9.49826903898504 0.02959142121706 4.66564502386990 H -7.59081406909526 -1.35502380681803 3.96335256109825 H -0.54866652382777 -3.86008721089672 7.56118200449712 H -0.13904815792755 -4.22099948676345 5.88688216745305 H -0.57042449767896 -5.52968230490012 6.99702939023495 H -2.41551290867351 -3.22090949957047 6.21163922996821 H -4.18864245222260 -4.32259580980203 7.26727833575883 H -2.83006748477477 -4.26370777244003 8.41523975513428 H -1.70555204325867 -6.38690501688499 9.09478423603655 H -1.83281309006281 -8.83232043972453 9.23863043052843 H -4.51455729964633 -10.88230806088236 7.75044336416485 H -3.07891487683896 -10.89240696723879 8.82245542390522 H -5.08785099068391 -8.83500057265143 6.47540529311750 H -4.93569832991224 -6.36472118988258 6.31380605764757 N -3.95598226332255 -2.49031454633827 4.52147702907721 H -4.00309927733136 -1.57346182512683 4.95737058564337 94 energy: -132.580594987438 gnorm: 0.000708031064 xtb: 6.5.1 (b24c23e) N -3.69352021411380 -3.64277667609002 1.88867968768737 C -3.07747946356270 -4.55968668592173 0.95275354769648 C -2.56581002910618 -5.78210679455218 1.71331200536071 N -3.47582907180283 -6.08597233693415 2.81106653027051 C -4.71707704886120 -6.67824423877215 2.31773908039935 C -5.80642170249079 -6.43409536040873 3.35734910020409 N -5.62059060651810 -5.09825812626597 3.88797084401327 Mo -3.92766836205247 -4.10475949927112 3.79310187123650 N -2.64773131191150 -4.90269384370420 5.06735418681519 C -1.95587232054097 -6.12507357758599 4.72478226409530 C -2.83964890854331 -6.95450580951980 3.79603675714090 H -1.73982350279595 -6.73282584022651 5.61245447790587 H -0.98802406034581 -5.90981732621145 4.23410727816558 H -3.61912807844302 -7.41824305640930 4.40430363573318 H -2.25766236320435 -7.75304832857439 3.30997036910596 H -6.78592975625752 -6.55141469692929 2.87655687237607 H -5.74918054743477 -7.19093401315550 4.15890353735617 H -5.00107459854139 -6.16141107548037 1.39737071420671 H -4.59192852110752 -7.74962727522771 2.09863995357816 H -2.22802760395394 -4.09925881180792 0.42999695442165 H -3.80111630490087 -4.86868597275540 0.17694013804373 H -1.58946829322443 -5.53744635194339 2.13944669198227 H -2.44819671109354 -6.64497081249111 1.03814809354358 C -4.08045066056542 -2.13673352159135 -0.08298954794968 C -3.78141134065554 -2.27948108460193 1.41537712962487 C -2.51368391760297 -1.43972906772080 1.80348610205650 C -1.21246478597573 -2.08066368632718 1.45963407616422 C -0.62706263248644 -2.98038412010720 2.35280662395047 C 0.55826093625510 -3.61460317582261 2.04605038192684 C 1.20389882769074 -3.36957413717027 0.82977094493738 C 2.48321671704490 -4.04857928670452 0.50138899798248 Cl 3.89741234050033 -3.08880440680914 1.15399507402604 C 0.64412197899466 -2.43865236234904 -0.04307905824042 C -0.54092190467700 -1.80249138081239 0.26645597987077 C -7.76121577967514 -5.31976066215379 5.18309751853692 C -6.84615605096828 -4.45279081568988 4.30782527578860 C -7.61531397546149 -3.91065065991485 3.06868923095195 C -8.78039990994387 -3.05691809197060 3.45718885140943 C -10.08211862548185 -3.54369130525438 3.39360269796001 C -11.15263758484588 -2.76333659711045 3.78630286259886 C -10.94988209102950 -1.46849804632166 4.25287757200415 C -12.10133348269898 -0.63652257853548 4.70399841893726 Cl -12.41584811395089 -0.92616611539498 6.46905959534003 C -9.64833258849806 -0.97839255182783 4.31972162790837 C -8.58108930125826 -1.76086424588319 3.92463928302622 C -0.78495643888425 -4.50582061688085 6.71289441784490 C -2.25681428538437 -4.30474450502677 6.32650157574134 C -3.19847630805084 -4.72902893789600 7.50273879025790 C -3.29951468198638 -6.20765129627540 7.67373354069017 C -2.44431535081040 -6.91719141034696 8.51410506775172 C -2.52089789045840 -8.29342796408944 8.60216257562560 C -3.46724660973571 -9.00180277468320 7.86394265345174 C -3.51892962783273 -10.48698562453542 7.91641771467108 Cl -2.51578061445579 -11.18400922224267 6.56356108562964 C -4.34023656814784 -8.29177877329978 7.04073048010983 C -4.25727131199989 -6.91767204247050 6.95064304450370 H -4.94043066499927 -2.74545175319016 -0.35572991186998 H -4.31625515572854 -1.09828797333350 -0.30360127762540 H -3.23055081875557 -2.43141943929895 -0.69252451386881 H -4.61655878796021 -1.81605232806267 1.96070119501285 H -2.59834432377019 -0.46341786671358 1.32327495757391 H -2.56592916734358 -1.31622091347896 2.88937154145239 H -1.13507970155971 -3.17642475672506 3.29576683275548 H 1.00588609689286 -4.30455658670731 2.74816467831082 H 2.65841976035746 -4.11461722426406 -0.57061154388353 H 2.56966505125261 -5.02774439633038 0.96898361253298 H 1.14853604973044 -2.21562823771175 -0.97287082034455 H -0.95615227496953 -1.08134060903256 -0.42302879206779 H -8.57111916312953 -4.70855511937823 5.57382243999908 H -8.19607282762098 -6.14330100857529 4.62202246569675 H -7.20219186464563 -5.72497486915487 6.02377478515304 H -6.53959976079201 -3.58212227817803 4.90300055810056 H -6.88995535478175 -3.32671246331653 2.48894624294824 H -7.96129227463284 -4.74861021781162 2.46050662187905 H -10.26058023556251 -4.54646485356955 3.03239983589884 H -12.15680086871617 -3.15912575531652 3.73220847356790 H -11.90278855124411 0.42994555951928 4.61315313473332 H -13.02735111038680 -0.90058408256290 4.19599300298880 H -9.47605272414020 0.02477704644891 4.68302836925895 H -7.57557917599707 -1.36757790458022 3.97700603676421 H -0.54627078405344 -3.86041608715094 7.55503111124264 H -0.13930908506284 -4.22926857028690 5.88199804386648 H -0.57192321030993 -5.53240915614973 6.99825052952695 H -2.41444347056326 -3.22350674048864 6.20774576902723 H -4.18646580333816 -4.31927445528318 7.27131855281490 H -2.82442912565858 -4.26216065988704 8.41532206078047 H -1.71201539596127 -6.38513284159778 9.10434494791535 H -1.84294685713087 -8.83016550202021 9.25074504926573 H -4.52248362572709 -10.87769128994043 7.75779704594290 H -3.08819352056355 -10.88866339926597 8.83167886390492 H -5.08622634919679 -8.83216177204183 6.47420022268315 H -4.93087534018120 -6.36193232334550 6.31055848755614 N -3.95653769902986 -2.49408288919510 4.51750736872016 H -3.99956487087082 -1.57454770396730 4.94819584535977 94 energy: -132.580625445680 gnorm: 0.000709902519 xtb: 6.5.1 (b24c23e) N -3.69737958000468 -3.64810439644576 1.88630421846314 C -3.07781181449556 -4.56330900405072 0.95094326087400 C -2.56367427838385 -5.78451018215968 1.71205886653410 N -3.47405533963571 -6.09024596461609 2.80880830636739 C -4.71422912034331 -6.68334585477646 2.31404762259292 C -5.80501283826349 -6.44164644223231 3.35282780268004 N -5.62041123546922 -5.10683345535625 3.88644680993559 Mo -3.92904632380650 -4.11019993733610 3.79139680411604 N -2.64828391114042 -4.90621465261626 5.06595768222638 C -1.95551575585264 -6.12827616522160 4.72375518700301 C -2.83809085714365 -6.95825470594465 3.79422199272031 H -1.73951250047908 -6.73592966894498 5.61148950017555 H -0.98756965345851 -5.91238074263222 4.23350207844567 H -3.61783734688930 -7.42245099625227 4.40175764913927 H -2.25500688992318 -7.75648137975919 3.30884666305080 H -6.78377924192375 -6.55812910586289 2.87046984647886 H -5.74853831206151 -7.19995846022669 4.15299955775186 H -4.99812844199695 -6.16570982929272 1.39418628763379 H -4.58787690190078 -7.75433696749192 2.09365785157105 H -2.22917821550595 -4.10042495883349 0.42898933674784 H -3.79979445722147 -4.87425633981273 0.17438937661040 H -1.58838130878993 -5.53730471523477 2.13909909781079 H -2.44323030555674 -6.64701004950806 1.03692930264441 C -4.09134191018839 -2.14513871189117 -0.08629961210663 C -3.78978291758488 -2.28553835586271 1.41183115715060 C -2.52402128588984 -1.44171641406225 1.79751722612673 C -1.22053351445396 -2.07947090740293 1.45628069021613 C -0.63382807298356 -2.97642207931043 2.35142989872355 C 0.55491755629087 -3.60573268288192 2.04807019657961 C 1.20290892379954 -3.35844271873598 0.83353497758857 C 2.48689379113302 -4.03052979472021 0.50952456145308 Cl 3.89401352448542 -3.05752123868844 1.15883847673947 C 0.64122555308818 -2.43077207219906 -0.04157863717032 C -0.54732580103750 -1.79957642646580 0.26450253755898 C -7.76297654228183 -5.33303768237323 5.17785143328533 C -6.84668563209679 -4.46300131920549 4.30708661300639 C -7.61369823638897 -3.91636848561985 3.06870866732273 C -8.77493316147910 -3.05789230113440 3.45846937130527 C -10.07949203216349 -3.53580371714840 3.38734521949121 C -11.14629997005513 -2.75096179956385 3.78128223235959 C -10.93679371411111 -1.46056401661849 4.25696084740860 C -12.08417272793675 -0.62372881515259 4.70948043041489 Cl -12.40469601836507 -0.91992726140958 6.47253386440677 C -9.63238321203653 -0.97924620156944 4.33102361911668 C -8.56894875510324 -1.76594291908347 3.93424897503853 C -0.78433700260704 -4.50843619065561 6.71061990390982 C -2.25598699247589 -4.30628932759328 6.32388274177496 C -3.19729789680485 -4.72749139379427 7.50155598240547 C -3.30027052934793 -6.20574631042678 7.67446867952561 C -2.44886575276378 -6.91469120651622 8.51893459972286 C -2.52736226352073 -8.29077865691741 8.60909178467293 C -3.47167785558845 -8.99915930403452 7.86856987880775 C -3.52632403084982 -10.48431675990794 7.92458810226620 Cl -2.52297296878748 -11.18691685333702 6.57519739676346 C -4.34071190787836 -8.28961624480153 7.04084197607152 C -4.25613069301847 -6.91574372620672 6.94886797394032 H -4.94954794918285 -2.75715769772904 -0.35735687903265 H -4.33141380126881 -1.10770652590649 -0.30719126541689 H -3.24129304305686 -2.43704215136311 -0.69698364662532 H -4.62567844098802 -1.82406943012633 1.95770768410734 H -2.61103642411543 -0.46710830572542 1.31450089343931 H -2.57684186841365 -1.31539422910816 2.88293835206781 H -1.14341797730494 -3.17400012500356 3.29322966484867 H 1.00366182440299 -4.29342545079051 2.75166259795227 H 2.66380478532281 -4.10034839305592 -0.56191690295768 H 2.57990388536707 -5.00657932232117 0.98211277173183 H 1.14706463396300 -2.20586501134941 -0.97009306682536 H -0.96393705696120 -1.08069793894446 -0.42649885129113 H -8.57398336789754 -4.72316991874084 5.56848417647138 H -8.19642433306062 -6.15514095230911 4.61360855940370 H -7.20573974051581 -5.74044104722581 6.01861073463007 H -6.54079694062289 -3.59453577602744 4.90579737237545 H -6.88584624108484 -3.33459542306854 2.48993655832910 H -7.96335135678886 -4.75198023593885 2.45945786760283 H -10.26320766022429 -4.53491443180483 3.01882664127914 H -12.15279339052303 -3.13979525308465 3.72117569527841 H -11.87856282410475 0.44184130372650 4.62451092150488 H -13.01057312822890 -0.87953455912927 4.19816951682236 H -9.45489421539616 0.02030476548648 4.70156211300934 H -7.56119263338832 -1.37934700578464 3.99167783743383 H -0.54460974440527 -3.86034661588997 7.55031858071188 H -0.13827602905648 -4.23588222064926 5.87878884323820 H -0.57294758683317 -5.53432033308770 6.99972363810225 H -2.41246699860160 -3.22507440189562 6.20316046559612 H -4.18485536261039 -4.31660545518999 7.27040584454793 H -2.82171466905316 -4.26004624606981 8.41318105936143 H -1.71817856511714 -6.38254524618423 9.11098293652549 H -1.85247711502915 -8.82704597410565 9.26115294178224 H -4.53055918636449 -10.87311213048583 7.76576219329102 H -3.09774003908782 -10.88412097234443 8.84166235466543 H -5.08508296831081 -8.83021939631049 6.47248524094475 H -4.92680231905920 -6.36014155608216 6.30560024187555 N -3.95885194187486 -2.49882137180900 4.51424621795567 H -4.00002753127080 -1.57831809467677 4.94302022781447 94 energy: -132.580665978046 gnorm: 0.000810347571 xtb: 6.5.1 (b24c23e) N -3.70081104117776 -3.65562302833644 1.88369044000971 C -3.07705481095920 -4.56853458629866 0.94888371558024 C -2.56043604955066 -5.78818606390562 1.71095992860934 N -3.47142777601104 -6.09582228126512 2.80660298328288 C -4.70994890048950 -6.69064285420786 2.30999651726067 C -5.80310480131879 -6.45022000112002 3.34666470754968 N -5.61946469626643 -5.11641968411856 3.88331219638966 Mo -3.93003853011301 -4.11663280979756 3.78898407122582 N -2.64582321581825 -4.90921191081984 5.06218923343654 C -1.95308603540321 -6.13184626816243 4.72180602128706 C -2.83550275508896 -6.96275096675466 3.79284944175329 H -1.73758372987059 -6.73834156517345 5.61043412326998 H -0.98490221920781 -5.91667996313539 4.23171284450224 H -3.61547820951251 -7.42639525743514 4.40053329624811 H -2.25203190266552 -7.76138550228786 3.30853290276395 H -6.78056171350245 -6.56513202581926 2.86126497705987 H -5.74915054625892 -7.21003123403774 4.14557320052505 H -4.99291191298602 -6.17373769116285 1.38948818314439 H -4.58205744178941 -7.76158083640781 2.09017321525048 H -2.22925086955714 -4.10273614931721 0.42815287048540 H -3.79695776039336 -4.88166318060296 0.17131641028525 H -1.58629932870201 -5.53829340720582 2.13904397995498 H -2.43691059252653 -6.65041267867489 1.03605082862826 C -4.10410077869300 -2.15613863792789 -0.08960781742722 C -3.79932163983944 -2.29390080651418 1.40810535753381 C -2.53668245978914 -1.44448978433269 1.79141533814585 C -1.23039286344361 -2.07830526054016 1.45321053204953 C -0.64138778078519 -2.97128989682899 2.35091195153367 C 0.55152516157868 -3.59448790197439 2.05138277692936 C 1.20159981856548 -3.34499495170101 0.83840400437772 C 2.49105473897986 -4.00857996462916 0.51930187601293 Cl 3.88981175699491 -3.02005069248116 1.16482038746534 C 0.63675045883648 -2.42199387123237 -0.03973579130240 C -0.55598995120819 -1.79693935291174 0.26247298709360 C -7.76460338784754 -5.34860285858961 5.17056697909417 C -6.84673168506553 -4.47481539169845 4.30536048187886 C -7.61219125207131 -3.92222504621480 3.06881927857675 C -8.76881492570014 -3.05833030075481 3.46080151807145 C -10.07665613442944 -3.52567838796277 3.38100924271858 C -11.13904413228937 -2.73558917404776 3.77653770114346 C -10.92164111974015 -1.45050190026155 4.26287030961459 C -12.06421500324630 -0.60765138519009 4.71638383947026 Cl -12.39257024986433 -0.91045759341563 6.47698367595965 C -9.61385324963970 -0.97983990748507 4.34581624725878 C -8.55495141966041 -1.77150869148927 3.94699495744994 C -0.78295365227075 -4.51062308639783 6.70836132550545 C -2.25391131981570 -4.30764490995623 6.31941648697087 C -3.19711211483491 -4.72549963280310 7.49685085638647 C -3.30165838439767 -6.20330267551984 7.67242823154188 C -2.45425025809303 -6.91103241914001 8.52183109226075 C -2.53494432486304 -8.28681912059391 8.61552551772816 C -3.47737391409188 -8.99595828955260 7.87346665554904 C -3.53551041055761 -10.48087366663574 7.93496350740371 Cl -2.53172343120702 -11.19178416314001 6.59037096476546 C -4.34205348769633 -8.28758047355062 7.04015843661210 C -4.25549082287073 -6.91407847513325 6.94484301856258 H -4.95955333483041 -2.77290622988409 -0.35874056896327 H -4.35017564113173 -1.12014993807425 -0.31083448254854 H -3.25352409879672 -2.44399790988292 -0.70147114682306 H -4.63635987076357 -1.83545328271438 1.95478735212021 H -2.62667806675840 -0.47179457106319 1.30517680421393 H -2.59035925952233 -1.31483667041688 2.87634893083204 H -1.15221593051463 -3.17042936017963 3.29168983845322 H 1.00210893764534 -4.27901008307738 2.75689834902363 H 2.67001246068645 -4.08254460600818 -0.55148094328395 H 2.59197233632015 -4.98102467316461 0.99746059910468 H 1.14358955133346 -2.19550219566442 -0.96727883652871 H -0.97490628126600 -1.08139191303836 -0.43060228921662 H -8.57662104756738 -4.74059087262555 5.56211416538790 H -8.19676675484315 -6.16843064378216 4.60203478617929 H -7.20905425452967 -5.75948200718309 6.01073267772401 H -6.54162141541721 -3.60924416247934 4.90860087653625 H -6.88184389803165 -3.34271448807409 2.49090193804072 H -7.96639570488183 -4.75478519495183 2.45804474699133 H -10.26657772661681 -4.52044332936216 3.00405753518998 H -12.14827502782813 -3.11602542339253 3.70897524401544 H -11.85021628876765 0.45672158253389 4.63768653813268 H -12.99087021640968 -0.85379683786521 4.20093103587397 H -9.43023205236219 0.01532528501807 4.72500315988295 H -7.54454431423138 -1.39296050321936 4.01083012846906 H -0.54336731318927 -3.85993674685778 7.54605259949673 H -0.13536376677400 -4.24197371631346 5.87648544593600 H -0.57357143094706 -5.53578493470392 7.00141171124865 H -2.40895362295556 -3.22644089760494 6.19667196917422 H -4.18398105830706 -4.31408766382174 7.26357148037576 H -2.82213433278165 -4.25672713101144 8.40801445147671 H -1.72531550579290 -6.37828450748904 9.11544514257016 H -1.86344626171381 -8.82202531049612 9.27190208656490 H -4.54048136230969 -10.86770442117946 7.77608643528272 H -3.10955944692421 -10.87777358501622 8.85452059957061 H -5.08457313944942 -8.82891925841508 6.47011313887790 H -4.92301551486944 -6.35917779145638 6.29765138185336 N -3.96368793350352 -2.50551034255437 4.51212680806513 H -4.00618235316759 -1.58547604787904 4.94158929526269 94 energy: -132.580719713428 gnorm: 0.000852742833 xtb: 6.5.1 (b24c23e) N -3.70443208191056 -3.66655285290671 1.88030167545045 C -3.07476391978212 -4.57634452430857 0.94646614709742 C -2.55502814216456 -5.79422909098461 1.70939987603417 N -3.46694132134526 -6.10430965202795 2.80362893661807 C -4.70329395992860 -6.70204799556369 2.30517144328752 C -5.80078932679585 -6.46204175640170 3.33768132004453 N -5.61886885336108 -5.12956835014827 3.87830671096371 Mo -3.93199991293076 -4.12697423499061 3.78485448069317 N -2.64009484840729 -4.91221299242425 5.05494426590143 C -1.94826849248921 -6.13648039899398 4.71843380102492 C -2.83087172610226 -6.96932963285373 3.79129644441252 H -1.73393002874983 -6.74043101629397 5.60906433872876 H -0.97953986127733 -5.92376274536965 4.22842004172505 H -3.61104468385503 -7.43133116437940 4.40004299450125 H -2.24775403716207 -7.76916224509897 3.30845647586170 H -6.77624183956594 -6.57434479763547 2.84755852337004 H -5.75144803075159 -7.22355241799250 4.13525173435571 H -4.98432630388329 -6.18804536821732 1.38250612521075 H -4.57287122942735 -7.77322673258419 2.08805645592442 H -2.22791251778132 -4.10665794972857 0.42768500495863 H -3.79164848814374 -4.89214191678568 0.16727379596966 H -1.58238305120822 -5.54106260192755 2.13890443842859 H -2.42775287617644 -6.65632365878442 1.03502429663635 C -4.12068868887807 -2.17235442568678 -0.09380724802558 C -3.81267426135354 -2.30597068769189 1.40358346773525 C -2.55469182604651 -1.44864573255572 1.78411009497041 C -1.24400358222938 -2.07608955663625 1.45015993072236 C -0.65111360339708 -2.96284107011228 2.35154775502929 C 0.54749023663484 -3.57750901835131 2.05700664883262 C 1.19952094296362 -3.32572601687079 0.84552992619105 C 2.49629223408563 -3.97763561139320 0.53278700789211 Cl 3.88383200490140 -2.96880920331874 1.17308988712647 C 0.62937600594696 -2.41019888098682 -0.03718706640401 C -0.56892718354908 -1.79354386349501 0.26007774684849 C -7.76662948143266 -5.36993632037019 5.15985393143727 C -6.84686394935880 -4.49039010194188 4.30266674106537 C -7.61002843625661 -3.92924600201415 3.06869853569787 C -8.76023453072741 -3.05856729272036 3.46523672968169 C -10.07244881786942 -3.51144361339160 3.37409929598843 C -11.12879883579300 -2.71394752116520 3.77129697579974 C -10.90068771040168 -1.43609714686528 4.27171509289526 C -12.03669783838869 -0.58482994282078 4.72617874071637 Cl -12.37626114897128 -0.89601124106407 6.48315257309942 C -9.58833020379919 -0.98031779149296 4.36705676504155 C -8.53565769988935 -1.77893770572900 3.96576815006064 C -0.78092930980195 -4.51324471662395 6.70564894690403 C -2.25033055709246 -4.30851182827772 6.31167804886203 C -3.19787629946552 -4.72270710089454 7.48700776778711 C -3.30454299725336 -6.19980189913870 7.66720250595892 C -2.46196064100319 -6.90531533546023 8.52328995414374 C -2.54545964362357 -8.28052391645287 8.62275485684771 C -3.48584880346866 -8.99147599581199 7.87977059474297 C -3.54867116985637 -10.47578665670942 7.94996281954709 Cl -2.54377104298018 -11.19878791097711 6.61240133812797 C -4.34496369293996 -8.28532631695541 7.03866519301565 C -4.25581688481831 -6.91241569888600 6.93787996326705 H -4.97171952654045 -2.79621870834694 -0.36074636790733 H -4.37554176195939 -1.13862862498142 -0.31574805763998 H -3.26882986220616 -2.45419395541165 -0.70674166940400 H -4.65199981741633 -1.85253848675104 1.95110510695085 H -2.64932914867302 -0.47854706398007 1.29358607981766 H -2.60984907993321 -1.31432210999771 2.86841747526989 H -1.16295935238875 -3.16369082607704 3.29140992766658 H 1.00124801816435 -4.25679008327791 2.76559613561050 H 2.67792005975842 -4.05708322945985 -0.53713607333535 H 2.60770871458266 -4.94527493234470 1.01822960784856 H 1.13693662343105 -2.18232312667999 -0.96398739273129 H -0.99173428621875 -1.08341451058659 -0.43626283261036 H -8.57938175153195 -4.76386625272507 5.55281759831023 H -8.19777521731584 -6.18574680131893 4.58472526128134 H -7.21371612061679 -5.78667706289306 5.99894516586022 H -6.54240339313379 -3.62911561888221 4.91238410458353 H -6.87687028706499 -3.35233472327754 2.49155624019510 H -7.97065677114168 -4.75742768249701 2.45566547126008 H -10.27090561495383 -4.50025144635082 2.98584177817428 H -12.14160452468624 -3.08300861399118 3.69418914396161 H -11.81141350251923 0.47788318039292 4.65581805484154 H -12.96350880914574 -0.81790701058971 4.20486176836068 H -9.39633793809418 0.00881106391553 4.75788636978579 H -7.52168274773760 -1.41151901834601 4.03840924012781 H -0.54246890951060 -3.85969850717619 7.54145757811300 H -0.13046040261583 -4.24899833002810 5.87462958814008 H -0.57416755337482 -5.53762900241366 7.00331028161670 H -2.40310506414132 -3.22723553796265 6.18636342639878 H -4.18347887283888 -4.31126831532164 7.24812114389895 H -2.82626937279268 -4.25125470731830 8.39817148482505 H -1.73470575029295 -6.37123845810719 9.11775658231382 H -1.87803881890215 -8.81379967151264 9.28483705400940 H -4.55446279047299 -10.86042447365654 7.79090624527661 H -3.12634753253372 -10.86825897005100 8.87311615791578 H -5.08565860372424 -8.82805487425681 6.46757530117121 H -4.91958387923808 -6.35905090500850 6.28539662567524 N -3.97138767097156 -2.51648480522517 4.50955587255536 H -4.01777973193299 -1.59847657824457 4.94313452300697 94 energy: -132.580769659291 gnorm: 0.000841657168 xtb: 6.5.1 (b24c23e) N -3.70761520071795 -3.67957154907217 1.87632703265442 C -3.07151787108408 -4.58576323113871 0.94355784189363 C -2.54917070163575 -5.80150601038959 1.70803834828111 N -3.46232104759571 -6.11414680169740 2.80076004698448 C -4.69574537574266 -6.71597275712539 2.29983614086853 C -5.79761094798277 -6.47568808824699 3.32781645445485 N -5.61669172640430 -5.14455056634094 3.87234005772501 Mo -3.93297327762643 -4.13778800675258 3.78019859116884 N -2.63224051339642 -4.91600228655921 5.04570693813053 C -1.94185207928311 -6.14233317617519 4.71417834769430 C -2.82553712577564 -6.97708217284624 3.78975829416255 H -1.72921754127617 -6.74311518486398 5.60737227607786 H -0.97235336375029 -5.93283911956872 4.22434721854985 H -3.60561951949567 -7.43737539880096 4.40005393126924 H -2.24299608634481 -7.77810838985598 3.30818571656460 H -6.77074102391067 -6.58497333836721 2.83211838024845 H -5.75383876720799 -7.23911043117353 4.12396998825543 H -4.97443767899818 -6.20606215115666 1.37414991096823 H -4.56236322895343 -7.78766455624763 2.08703295775085 H -2.22533007025125 -4.11194212004398 0.42741561215059 H -3.78484033597131 -4.90432178549394 0.16228802153327 H -1.57815441101883 -5.54511543005580 2.13932380911310 H -2.41788340635978 -6.66346640314652 1.03427799428709 C -4.13783485988165 -2.19131906831169 -0.09888041309087 C -3.82669754540272 -2.32046246414532 1.39815059825982 C -2.57534783425302 -1.45287798471088 1.77684068303410 C -1.25966419164374 -2.07273439882399 1.44749352864132 C -0.66167556215612 -2.95155764194045 2.35336297665333 C 0.54345056771990 -3.55629300542340 2.06439827067617 C 1.19680791085286 -3.30272117577701 0.85401219052032 C 2.50122625192773 -3.94215535732639 0.54784584171746 Cl 3.87651197648629 -2.91232691641120 1.18237755288981 C 0.62012056418715 -2.39643842236826 -0.03417491772692 C -0.58445135822326 -1.78940801347676 0.25764111140634 C -7.76929940484707 -5.39290513788124 5.14719192196912 C -6.84580146157294 -4.50836672524944 4.29914243494237 C -7.60715550673647 -3.93673958208021 3.06901309224376 C -8.75021532654131 -3.05844741550098 3.47028115684323 C -10.06696477395572 -3.49537981097646 3.36790560376060 C -11.11634365674480 -2.68985183501578 3.76774137144740 C -10.87656053631530 -1.41977812407511 4.28228135577221 C -12.00529365787023 -0.55921395108751 4.73748660354084 Cl -12.35738901689320 -0.87894653346895 6.49031896336691 C -9.55943797226306 -0.98052813620542 4.39037204156743 C -8.51382563660504 -1.78694076494790 3.98632570343806 C -0.77846132186032 -4.51646817425924 6.70245967236867 C -2.24593033845405 -4.31032383277343 6.30227014935350 C -3.20032500508676 -4.71940096495704 7.47388590176259 C -3.30867327026325 -6.19567407978187 7.65949744656314 C -2.47066523781977 -6.89826236875697 8.52268275642927 C -2.55733902035932 -8.27268261834445 8.62957946707910 C -3.49633108322411 -8.98617066371536 7.88703430686385 C -3.56381230256471 -10.46959162440724 7.96704500751295 Cl -2.55728413040213 -11.20594538823417 6.63739823165291 C -4.35007454445530 -8.28301424676593 7.03780254704710 C -4.25780362014534 -6.91087378697374 6.92972927734657 H -4.98355102777816 -2.82320058340948 -0.36398934334350 H -4.40223697389575 -1.16024756047495 -0.32204034141664 H -3.28401323195990 -2.46653517639023 -0.71205772902175 H -4.66898926459710 -1.87300770096024 1.94607421522803 H -2.67568365181161 -0.48544931542787 1.28199714298079 H -2.63255842090161 -1.31388197204578 2.86051159322022 H -1.17410599831880 -3.15398275505306 3.29251753398663 H 1.00107160739280 -4.22910085098150 2.77673626777693 H 2.68561204099203 -4.02749790562441 -0.52114784819410 H 2.62335820838464 -4.90462552539654 1.04088738012499 H 1.12783270576847 -2.16799146794390 -0.96077415502654 H -1.01195499071963 -1.08591776591551 -0.44265578581849 H -8.58263160756858 -4.78883753736615 5.54211531882854 H -8.19964913690584 -6.20386957807265 4.56458546881989 H -7.21959589537415 -5.81667241046578 5.98487310492891 H -6.54215407436888 -3.65205373601886 4.91616543258129 H -6.87082760898765 -3.36253303996161 2.49299265348729 H -7.97465387121058 -4.75974158217015 2.45300879643336 H -10.27471653623032 -4.47799236046781 2.96893876379797 H -12.13290244048451 -3.04636086968125 3.68075738097385 H -11.76785873497925 0.50144416486383 4.67577759542711 H -12.93203358557662 -0.77802367305504 4.20968803977630 H -9.35828821734217 0.00212943035891 4.79282230755627 H -7.49596126279104 -1.43213258267830 4.06871904957197 H -0.54204678457767 -3.86050673632072 7.53702606218482 H -0.12413166425904 -4.25634593214026 5.87311326578178 H -0.57493180793564 -5.54019582132851 7.00450362085120 H -2.39581092838500 -3.22899526817208 6.17392992283723 H -4.18441016494739 -4.30856902973203 7.22702878340157 H -2.83401354646152 -4.24438637120040 8.38538773000358 H -1.74497021915804 -6.36222783216529 9.11739537288915 H -1.89388755406131 -8.80349539634615 9.29768047639589 H -4.57027513934405 -10.85239027275219 7.80767799460002 H -3.14538653656675 -10.85711497154306 8.89407842560365 H -5.08890419310541 -8.82768886793937 6.46604716142505 H -4.91779197757820 -6.35977081800761 6.27132511054618 N -3.98126047112838 -2.52896480696221 4.50809841914289 H -4.03501883707582 -1.61410535176417 4.94740546501781 94 energy: -132.580804623888 gnorm: 0.000639619014 xtb: 6.5.1 (b24c23e) N -3.70997818349698 -3.69072702749313 1.87280844755406 C -3.06812553217590 -4.59397029936925 0.94126731101762 C -2.54363261800959 -5.80821154484808 1.70657262263156 N -3.45793063238327 -6.12314494272912 2.79787181610274 C -4.68929795112764 -6.72819385783305 2.29558192909887 C -5.79525598890868 -6.48781497659675 3.31955863152265 N -5.61592255248013 -5.15796548537161 3.86774044280373 Mo -3.93470564696513 -4.14863982738678 3.77571572026667 N -2.62561834218531 -4.91940255973853 5.03722559848638 C -1.93662093010196 -6.14764757878332 4.71027002041437 C -2.82060986855471 -6.98436150385254 3.78796294883656 H -1.72569035049132 -6.74569408653563 5.60570909431333 H -0.96631433962100 -5.94128808328037 4.22078791444702 H -3.60054296970999 -7.44323391980441 4.39957779950276 H -2.23863572550786 -7.78633771130369 3.30730546200446 H -6.76659662410628 -6.59469907291005 2.81968333509789 H -5.75581163112543 -7.25284542212643 4.11441440952443 H -4.96602831135074 -6.22198584170285 1.36730528813062 H -4.55321695298928 -7.80022263323540 2.08635733987326 H -2.22232905084659 -4.11676541493456 0.42756697505391 H -3.77823135964735 -4.91469313802755 0.15803781215311 H -1.57408844335450 -5.54917031639535 2.13959203013245 H -2.40898834654616 -6.67010447766244 1.03340936658307 C -4.15050877691184 -2.20806337591226 -0.10381934821558 C -3.83904440693158 -2.33297692106454 1.39342698686065 C -2.59378277915337 -1.45646346504541 1.77123709263450 C -1.27333156266539 -2.06867413697008 1.44595477775174 C -0.67065328091257 -2.94011990787822 2.35579764363374 C 0.53983066143372 -3.53630464943931 2.07142672684804 C 1.19366007902952 -3.28184211953936 0.86147638237301 C 2.50440585561612 -3.91081095069338 0.56075347051836 Cl 3.86913665324896 -2.86429210322499 1.19061223733730 C 0.61110903197428 -2.38406625845744 -0.03155049337617 C -0.59846061326107 -1.78507266751022 0.25592835752427 C -7.77156455738151 -5.41261957971428 5.13663870363279 C -6.84514876790320 -4.52339198406076 4.29673592096764 C -7.60371370099274 -3.94278665771623 3.06914982208885 C -8.74049039447089 -3.05845655780676 3.47528347149447 C -10.06078643827744 -3.48212337007189 3.36480600344563 C -11.10418710947374 -2.66965642960417 3.76642703317034 C -10.85470952882194 -1.40579914260516 4.29124246103547 C -11.97711809711013 -0.53754939455246 4.74746577721877 Cl -12.33949275377209 -0.86370442962324 6.49683966669030 C -9.53389592706466 -0.98036381068224 4.40867289138695 C -8.49437538823804 -1.79352621237088 4.00264355614382 C -0.77713062220203 -4.52022709766866 6.70005840709728 C -2.24245847270806 -4.31157486505963 6.29355918761200 C -3.20301334899005 -4.71658108228966 7.46144986195125 C -3.31337389858507 -6.19202207015454 7.65265413611902 C -2.47851462475423 -6.89185001062859 8.52129463008674 C -2.56750199392188 -8.26548369644692 8.63457939317562 C -3.50597002425588 -8.98137517600771 7.89337421056632 C -3.57713164439806 -10.46387177707573 7.98184942583488 Cl -2.56883767148539 -11.21078543563965 6.65879717931549 C -4.35579022675617 -8.28105983998155 7.03772743159279 C -4.26105913207987 -6.90964525381666 6.92323825626946 H -4.99131288126114 -2.84672479552703 -0.36817066105612 H -4.42272966863782 -1.17940145447238 -0.32849387236143 H -3.29448371858200 -2.47784842096234 -0.71635889725636 H -4.68473601127783 -1.89111914988596 1.94080776368855 H -2.69942446701054 -0.49113350823178 1.27332487934752 H -2.65342685986716 -1.31421036419391 2.85440281125544 H -1.18314946504487 -3.14353419293456 3.29467297906091 H 1.00119379124510 -4.20269680361477 2.78739329283026 H 2.69097672989490 -4.00088963977632 -0.50746358558973 H 2.63474223162933 -4.86911396694184 1.05968504017595 H 1.11860761627141 -2.15555568555564 -0.95827779780093 H -1.03022762192721 -1.08780728529915 -0.44800394276656 H -8.58486760996869 -4.80954192502141 5.53299411436381 H -8.20179595524778 -6.21893043138991 4.54745053519794 H -7.22514026115382 -5.84285835176914 5.97320223978580 H -6.54158473851062 -3.67176284413456 4.92027877711197 H -6.86463742505400 -3.37071048618302 2.49428345294077 H -7.97703833088931 -4.76114617127289 2.45038430055351 H -10.27635893602447 -4.45950628675855 2.95720985923087 H -12.12360561327910 -3.01590374110764 3.67276836659250 H -11.72971077782295 0.52117706404025 4.69263751476491 H -12.90367017998286 -0.74458661674819 4.21462516138173 H -9.32506136723264 -0.00310477578422 4.82020985271906 H -7.47353972445144 -1.44925974520604 4.09206538728812 H -0.54248940307692 -3.86292076038247 7.53411203242125 H -0.11930143080804 -4.26303240713851 5.87257792346044 H -0.57644915561679 -5.54366972864881 7.00496849322281 H -2.38932192951739 -3.23011107960080 6.16244471143451 H -4.18544804882750 -4.30643970012163 7.20656077224874 H -2.84224908900408 -4.23794515512287 8.37328396120034 H -1.75347473661316 -6.35394481711300 9.11516802515784 H -1.90678843635538 -8.79400265177065 9.30720813315923 H -4.58398565111088 -10.84547364807526 7.82197565153194 H -3.16188216163727 -10.84725042362218 8.91202785897807 H -5.09392423446927 -8.82745746157311 6.46667265071276 H -4.91846399701093 -6.36079100974422 6.26031245671799 N -3.98967681887356 -2.54093600153656 4.50588193348797 H -4.05041184903112 -1.62873442559134 4.94989124846921 94 energy: -132.580829171461 gnorm: 0.000503935616 xtb: 6.5.1 (b24c23e) N -3.71175828176967 -3.69882243831394 1.86967164262730 C -3.06556644388963 -4.60007105379261 0.93932428693650 C -2.53999177537014 -5.81322217575219 1.70552861191967 N -3.45531090950777 -6.12987289094743 2.79560992793406 C -4.68506059764657 -6.73713890191663 2.29191503050806 C -5.79311459277022 -6.49754822382807 3.31397091064345 N -5.61447448387923 -5.16875661804371 3.86484776545420 Mo -3.93547147345529 -4.15629902356219 3.77243107812898 N -2.62154065892926 -4.92289676391244 5.03126135728998 C -1.93348991736557 -6.15240284090857 4.70759399070535 C -2.81762371109355 -6.99009904929636 3.78632296223938 H -1.72421144519287 -6.74877738673746 5.60454857134083 H -0.96235851770271 -5.94817348210726 4.21884329056348 H -3.59745870944124 -7.44855409951838 4.39843937704218 H -2.23564332759424 -7.79232785207500 3.30610444679828 H -6.76339287502241 -6.60286450260925 2.81161113585757 H -5.75601767216228 -7.26397555518986 4.10763347967889 H -4.96081281070371 -6.23274192164784 1.36236569463502 H -4.54717904183196 -7.80926925350786 2.08451511587171 H -2.21977032047008 -4.12055768098926 0.42771741144202 H -3.77307760419948 -4.92236255171288 0.15442595321413 H -1.57162295556827 -5.55235619782363 2.14011224325257 H -2.40270412346029 -6.67495118715869 1.03269640743546 C -4.15819323420117 -2.22064431879607 -0.10874936223141 C -3.84783153603231 -2.34228841210205 1.38895044582714 C -2.60798783602763 -1.45866347674276 1.76765166546483 C -1.28403080006294 -2.06474686073900 1.44522183101811 C -0.67769576732131 -2.93037903962069 2.35805560849789 C 0.53679086566038 -3.51998849631088 2.07703456951552 C 1.19062349034221 -3.26516638468291 0.86719400041394 C 2.50577393344610 -3.88683562721071 0.57023768222032 Cl 3.86255111181842 -2.82917426622023 1.19713726650851 C 0.60366257975906 -2.37397484890259 -0.02940547488281 C -0.60964362725790 -1.78104434102150 0.25494462661922 C -7.77354842760865 -5.42694666050575 5.12893387325146 C -6.84399232032897 -4.53541255778362 4.29503405046820 C -7.60024625578801 -3.94771374062366 3.06951892806284 C -8.73237227623265 -3.05865006206690 3.47828516545880 C -10.05513339594606 -3.47305729410910 3.36343463711907 C -11.09387716779692 -2.65561048930682 3.76705925255532 C -10.83708356378565 -1.39593819551406 4.29843451081069 C -11.95478028463135 -0.52192641713554 4.75521047708274 Cl -12.32389758602375 -0.85279927863477 6.50209200230482 C -9.51372768438087 -0.98019033375370 4.42112835011049 C -8.47890558933704 -1.79823620782817 4.01297394021650 C -0.77664813160218 -4.52414772654458 6.69814631261788 C -2.24040225554953 -4.31351685538867 6.28736885734812 C -3.20598574567156 -4.71426876972069 7.45243539905641 C -3.31763566590127 -6.18905444719532 7.64781628158589 C -2.48454219153142 -6.88673858115225 8.52000757404054 C -2.57519638913731 -8.25976179334224 8.63820489157935 C -3.51373835309977 -8.97742165923703 7.89859734107653 C -3.58696129656952 -10.45923558029632 7.99267509847704 Cl -2.57713671570002 -11.21271127733081 6.67413560524604 C -4.36145991587386 -8.27927697388271 7.03905955404612 C -4.26489648293930 -6.90843610661968 6.91955542005392 H -4.99510861507939 -2.86411225219974 -0.37365768854460 H -4.43548018960897 -1.19372211641309 -0.33488421197881 H -3.29980215808995 -2.48660733415200 -0.71962085197329 H -4.69659980008061 -1.90459419366402 1.93492081027093 H -2.71783243322108 -0.49468609424778 1.26803151752160 H -2.66982575139982 -1.31487458970060 2.85049981607744 H -1.19007539312011 -3.13445568172218 3.29680075462744 H 1.00104274622600 -4.18133888313054 2.79571717459932 H 2.69386035169028 -3.98012902532324 -0.49746218134231 H 2.64148513532900 -4.84233326206849 1.07311129322900 H 1.11079805532162 -2.14565536501358 -0.95640911079139 H -1.04449210740476 -1.08838379980140 -0.45157766027197 H -8.58680455540631 -4.82427043629357 5.52604355787751 H -8.20372337566210 -6.22986565516534 4.53516693044702 H -7.22981556699105 -5.86179549032162 5.96481268067151 H -6.54062516831054 -3.68717622691699 4.92318023092772 H -6.85850222460214 -3.37742510216718 2.49619040710624 H -7.97747872353113 -4.76249725425998 2.44847033801495 H -10.27632307939080 -4.44707319739559 2.95109242014846 H -12.11532646985374 -2.99458800490145 3.66972357156272 H -11.70007173022912 0.53533805837669 4.70537680510371 H -12.88122215210966 -0.72053021905114 4.21898082894142 H -9.29929621619973 -0.00637425998875 4.83761042179954 H -7.45597930604742 -1.46146075769086 4.10622449301540 H -0.54327225999818 -3.86641278391192 7.53224663017370 H -0.11606929236492 -4.26889981122344 5.87221932335438 H -0.57855333506741 -5.54760777837391 7.00462741492073 H -2.38450988330229 -3.23195632057610 6.15388336935431 H -4.18716556985273 -4.30470742309706 7.19157244643542 H -2.84916707633036 -4.23281831601077 8.36434250538478 H -1.75968207912170 -6.34738710839454 9.11282615486437 H -1.91577880668969 -8.78660031483551 9.31339568963375 H -4.59392632169765 -10.84033662719880 7.83227783122404 H -3.17382336702723 -10.83980536463898 8.92491685195902 H -5.09948084809561 -8.82695228229455 6.46903229643431 H -4.92084396602160 -6.36139063850361 6.25365319662321 N -3.99582641696514 -2.54910688730629 4.50350209507539 H -4.06182528535568 -1.63854746875507 4.95005777446231 94 energy: -132.580852999702 gnorm: 0.000470069093 xtb: 6.5.1 (b24c23e) N -3.71384047596710 -3.70608455003538 1.86637374541386 C -3.06336267589480 -4.60555333894338 0.93735648255832 C -2.53686928231401 -5.81759015276953 1.70460631224268 N -3.45332429258114 -6.13580339855993 2.79330439787934 C -4.68182805907107 -6.74444324813873 2.28820249926622 C -5.79120594349579 -6.50646780579100 3.30935461348898 N -5.61322853724593 -5.17876604890981 3.86297334045792 Mo -3.93626738133016 -4.16317814989372 3.76951913036902 N -2.61931976449578 -4.92676849551641 5.02659466016098 C -1.93202996720736 -6.15728487573863 4.70558734044936 C -2.81574974300020 -6.99556491723957 3.78446121131414 H -1.72457292914972 -6.75264417647558 5.60365218600846 H -0.95998498101440 -5.95476189918691 4.21790182254642 H -3.59568448204731 -7.45393705466234 4.39653658766421 H -2.23346889208045 -7.79780368289319 3.30459815729208 H -6.76092854637271 -6.61081508106337 2.80568183878593 H -5.75505222981713 -7.27442956403996 4.10161274565516 H -4.95719289161344 -6.24022706687307 1.35846723891823 H -4.54244089121835 -7.81636994968117 2.08076033117258 H -2.21737497204696 -4.12401940252101 0.42786967558256 H -3.76826145066244 -4.92941187679450 0.15074508329131 H -1.56972002598401 -5.55494494503578 2.14089443898523 H -2.39695844165186 -6.67909508378634 1.03203272589062 C -4.16282660442102 -2.23151004809220 -0.11435086167459 C -3.85563290228462 -2.35068151501733 1.38417237385490 C -2.62124850628013 -1.46030442973308 1.76455082536039 C -1.29393447518679 -2.06037203151459 1.44487065005345 C -0.68436630284788 -2.92084551742831 2.36031555498402 C 0.53351997142343 -3.50472728024571 2.08208777589655 C 1.18711985699211 -3.24968563545039 0.87222189807595 C 2.50612308954020 -3.86512937426239 0.57846988540261 Cl 3.85575513075269 -2.79849287961226 1.20342532533469 C 0.59642827413001 -2.36419067450288 -0.02736248099643 C -0.62000759757766 -1.77643347831876 0.25443292222083 C -7.77532330577291 -5.43953590249375 5.12255765895932 C -6.84273525016361 -4.54612461141908 4.29410271711500 C -7.59607108302180 -3.95250280780661 3.06972181809744 C -8.72398474594168 -3.05931336163833 3.48088791797581 C -10.04881292559968 -3.46623262130135 3.36396957911573 C -11.08333403500874 -2.64424385038016 3.76911561086234 C -10.82013281765398 -1.38756677186412 4.30420233219098 C -11.93348942188411 -0.50895897104901 4.76270071637081 Cl -12.30773578449698 -0.84385558534949 6.50766793012590 C -9.49470787796484 -0.97957477309128 4.42939188793398 C -8.46408155825269 -1.80212521099196 4.01977832591079 C -0.77720233428948 -4.52878799187412 6.69682137734291 C -2.23941313879309 -4.31554620380405 6.28220512704488 C -3.20905960030808 -4.71205889253878 7.44512759274720 C -3.32226347784027 -6.18620616335022 7.64455020697653 C -2.49004245334797 -6.88206337673441 8.51908854572238 C -2.58177301015209 -8.25457545117330 8.64118552137507 C -3.52088781795274 -8.97364567636052 7.90354079205679 C -3.59542892487418 -10.45496247256139 8.00190145949479 Cl -2.58404499499576 -11.21308845066251 6.68696080996582 C -4.36758619456887 -8.27731917606829 7.04150740836757 C -4.26959851701877 -6.90696808074789 6.91776501557871 H -4.99618780795167 -2.87886133681919 -0.38075750851220 H -4.44402475005002 -1.20604342177567 -0.34214375378083 H -3.30173975434042 -2.49436344917462 -0.72277790782631 H -4.70771044250475 -1.91652055619192 1.92779731721531 H -2.73508531194676 -0.49707478856438 1.26438267719377 H -2.68584610866984 -1.31642142205046 2.84716275287531 H -1.19662253949077 -3.12553619118079 3.29896007574873 H 1.00041950825616 -4.16154344068083 2.80312122927462 H 2.69545623929958 -3.96078784612941 -0.48882160907261 H 2.64590461657058 -4.81858314533150 1.08409352038299 H 1.10307733373641 -2.13611045631985 -0.95470626635111 H -1.05762975577967 -1.08787013869399 -0.45433750859672 H -8.58846273984197 -4.83688229584521 5.51996587985792 H -8.20550001861691 -6.23954497121105 4.52489397539647 H -7.23436934809923 -5.87832649148608 5.95813318999804 H -6.53933505811876 -3.70093531935943 4.92632131240582 H -6.85158708809342 -3.38387788844325 2.49819362925741 H -7.97659755047213 -4.76407213134563 2.44646181593368 H -10.27501777213862 -4.43761885557920 2.94811282591615 H -12.10653800384673 -2.97716712366486 3.66988224562009 H -11.67285890602896 0.54696488368978 4.71693199585919 H -12.86003073475231 -0.70039114061183 4.22415421614472 H -9.27518594684494 -0.00848612288651 4.84970752014050 H -7.43931121400884 -1.47164987521297 4.11524069945092 H -0.54465765509146 -3.87115484403729 7.53123255888852 H -0.11420144214275 -4.27510926923618 5.87236900030427 H -0.58164953706502 -5.55246922513096 7.00416075617465 H -2.38064797949357 -3.23386540098981 6.14624476446892 H -4.18900804991281 -4.30276773255236 7.17917925997471 H -2.85536821766688 -4.22801295351470 8.35686785168391 H -1.76512881277364 -6.34147926178657 9.11072593307902 H -1.92308508269141 -8.78001211639167 9.31820385951774 H -4.60239224247157 -10.83585164665904 7.84097717965851 H -3.18393027400228 -10.83333842834013 8.93573538903663 H -5.10589764908842 -8.82603055496171 6.47282449243387 H -4.92462042241921 -6.36151511503840 6.24964069565914 N -4.00084673936057 -2.55607994031517 4.50045211984449 H -4.07126055016427 -1.64615495419582 4.94751002950504 94 energy: -132.580880016067 gnorm: 0.000523230819 xtb: 6.5.1 (b24c23e) N -3.71673782772794 -3.71372981765935 1.86188624018749 C -3.06085034982501 -4.61146149663663 0.93498627613179 C -2.53339044826443 -5.82230386832243 1.70350940685861 N -3.45133293492266 -6.14233667902212 2.79033763941520 C -4.67869709170511 -6.75165864710332 2.28335245829405 C -5.78894772000472 -6.51700871882098 3.30446376416390 N -5.61167970202014 -5.19080367186177 3.86159492383209 Mo -3.93733195428598 -4.17107616958697 3.76591257878791 N -2.61850843794540 -4.93178348148838 5.02225630661370 C -1.93182776925330 -6.16325813093817 4.70399355247627 C -2.81456813498900 -7.00183206568945 3.78216463103790 H -1.72681678752095 -6.75791268124264 5.60311754664676 H -0.95855152340079 -5.96231564121060 4.21804375307773 H -3.59500143004040 -7.46029324721920 4.39355804563187 H -2.23169770256821 -7.80398796614234 3.30285589897180 H -6.75839956983905 -6.62036572382948 2.80005339429924 H -5.75294341340882 -7.28696532394109 4.09484826520848 H -4.95415708161471 -6.24603292077546 1.35442311939420 H -4.53781854507441 -7.82301728239888 2.07404305950656 H -2.21461182538026 -4.12759444901384 0.42806106053640 H -3.76237978382322 -4.93728886054453 0.14617304183602 H -1.56782836814942 -5.55741682537592 2.14199437838204 H -2.39010577160734 -6.68363025455841 1.03138150699713 C -4.16682455295733 -2.24384896982572 -0.12214558090090 C -3.86471285678368 -2.35968776853604 1.37772492918666 C -2.63667176022954 -1.46212572354407 1.76158061451542 C -1.30552369203406 -2.05495840075641 1.44479504008598 C -0.69247592550858 -2.90998108742735 2.36289312315043 C 0.52916496849777 -3.48742887563319 2.08761545537437 C 1.18256907992733 -3.23176227408437 0.87781486302592 C 2.50579261696476 -3.84035644613674 0.58736358650010 Cl 3.84739486311409 -2.76436030323403 1.21110942938672 C 0.58788553136716 -2.35225897734099 -0.02481332788530 C -0.63204975094354 -1.77032760108339 0.25429830831358 C -7.77731874822202 -5.45380370340835 5.11583196550979 C -6.84120335277336 -4.55877209309673 4.29323785151644 C -7.59058401827657 -3.95836746954831 3.06978834276306 C -8.71375728973298 -3.06014496276285 3.48253334135911 C -10.04088275321097 -3.45934860289871 3.36481624453923 C -11.07047070036342 -2.63248982614716 3.77255043021038 C -10.79982229248110 -1.37873103290570 4.31121865630510 C -11.90824329777027 -0.49491421869117 4.77160496030842 Cl -12.28666780569351 -0.83517766910887 6.51465057016979 C -9.47201356014976 -0.97873023422664 4.43760475652341 C -8.44635092594614 -1.80603921131731 4.02515494270965 C -0.77861143624118 -4.53482463360856 6.69544429452295 C -2.23921069052983 -4.31837742180425 6.27711920666890 C -3.21302402356295 -4.70936318686575 7.43820526391745 C -3.32804675209959 -6.18279072567796 7.64210026937142 C -2.49660484315088 -6.87673071731405 8.51899752395055 C -2.58931333258311 -8.24877334178883 8.64504375611848 C -3.52900741704134 -8.96924176056292 7.90941476064428 C -3.60456586461982 -10.45016065730360 8.01186306399376 Cl -2.59120511615860 -11.21233445756675 6.70061624638620 C -4.37498454165683 -8.27476070728447 7.04513398210081 C -4.27565084645413 -6.90489450938683 6.91705172662134 H -4.99608792088483 -2.89524627804956 -0.39149174804319 H -4.45166590918367 -1.21986711404898 -0.35197914629280 H -3.30199003375995 -2.50325180900745 -0.72676479972913 H -4.72121271813965 -1.92956749653054 1.91770218558574 H -2.75512401004540 -0.49961353396965 1.26114433939322 H -2.70464466198792 -1.31870179673654 2.84402836832843 H -1.20467109611006 -3.11551056254261 3.30138576162510 H 0.99894801217890 -4.13948621656670 2.81101320269415 H 2.69662223227019 -3.93802899142250 -0.47952581619880 H 2.64991319053015 -4.79187457645876 1.09556996192961 H 1.09409826296371 -2.12402326264338 -0.95237532324613 H -1.07258524053400 -1.08589809576202 -0.45661017229347 H -8.59045817229880 -4.85102081488442 5.51308978774816 H -8.20727403917851 -6.25081077855175 4.51405096841013 H -7.23967606552626 -5.89664319712676 5.95137617715269 H -6.53788696808277 -3.71680279414614 4.92976379894185 H -6.84247186530040 -3.39202763792633 2.50062784723983 H -7.97455163030932 -4.76646167926717 2.44417648888700 H -10.27251774363901 -4.42864049838598 2.94737993025238 H -12.09555758312760 -2.95930469372241 3.67304843453662 H -11.64070066748175 0.55960015413511 4.73090676991189 H -12.83531082078831 -0.67818706554917 4.23096719158210 H -9.24692183368076 -0.00973655612817 4.85934921376480 H -7.41961501391727 -1.48197464017806 4.12098854248812 H -0.54672358863572 -3.87754892652163 7.53031136987776 H -0.11289143838508 -4.28300345158331 5.87260558774322 H -0.58629086852860 -5.55887741424440 7.00355714341789 H -2.37688707442607 -3.23657381579990 6.13816269835331 H -4.19165053653768 -4.30007330168251 7.16728865140830 H -2.86199964434565 -4.22252413439136 8.34949631534565 H -1.77134964806581 -6.33493051090126 9.10907893891645 H -1.93075951354883 -8.77282135563999 9.32323154128452 H -4.61142514054015 -10.83096814053385 7.85012225934899 H -3.19484814094336 -10.82634964663748 8.94736317564140 H -5.11398164258335 -8.82447621785376 6.47832186539806 H -4.93001002309026 -6.36108468710775 6.24697327615866 N -4.00579381956862 -2.56340765659937 4.49535311155512 H -4.07979536409522 -1.65347831078023 4.94184965562925 94 energy: -132.580906732216 gnorm: 0.000615267641 xtb: 6.5.1 (b24c23e) N -3.72048215882520 -3.72286040750246 1.85659800155623 C -3.05804394090092 -4.61828970765883 0.93208645871126 C -2.52944606637823 -5.82735844552540 1.70262231907961 N -3.44941092572334 -6.14918944291186 2.78709594694820 C -4.67538527816663 -6.75896378828481 2.27736306037393 C -5.78625102451135 -6.52861682270940 3.29878824499189 N -5.60972382982762 -5.20416559299897 3.86016940258218 Mo -3.93849836727352 -4.17921457976701 3.76218830148810 N -2.61881919529887 -4.93773121482080 5.01832315652488 C -1.93266300549377 -6.17015319170597 4.70285773321340 C -2.81410117029481 -7.00870290956530 3.77974835799069 H -1.73059194657150 -6.76431480584165 5.60301016893278 H -0.95791051354277 -5.97073353996316 4.21918888397291 H -3.59544116609419 -7.46715928394070 4.39000720170175 H -2.23049443851468 -7.81085626070645 3.30128027657282 H -6.75547704753400 -6.63103742787006 2.79370766106166 H -5.74999550215948 -7.30117517573572 4.08670246297239 H -4.95119853924064 -6.25053887897661 1.35005632145214 H -4.53286925520622 -7.82947526181927 2.06463399011007 H -2.21142214294406 -4.13156528531586 0.42843183977296 H -3.75531811134024 -4.94655260643490 0.14047388013392 H -1.56579752858154 -5.55970255425218 2.14374635938807 H -2.38204369457222 -6.68849688507040 1.03109246973957 C -4.17046982551476 -2.25753171407102 -0.13140963980984 C -3.87484229217112 -2.37033697619553 1.37000827613012 C -2.65431477263868 -1.46426392827401 1.75778794535686 C -1.31880368651848 -2.04888727102976 1.44457756433236 C -0.70213275489850 -2.89838811325747 2.36531143770289 C 0.52362483752396 -3.46868818219054 2.09320341682714 C 1.17712489021557 -3.21159669804948 0.88380514645985 C 2.50493037266476 -3.81239676155393 0.59683077038132 Cl 3.83783055442605 -2.72655803178633 1.22036061818608 C 0.57841426245302 -2.33798765049963 -0.02169171163932 C -0.64541060539211 -1.76267014010641 0.25446637762218 C -7.77940345642176 -5.46968697316372 5.10824110979252 C -6.83924003850074 -4.57278701660793 4.29234446516214 C -7.58416348676199 -3.96546219033571 3.06964456854932 C -8.70173780975128 -3.06142058010823 3.48445592448092 C -10.03128212403971 -3.45266901263254 3.36795194896694 C -11.05529806129244 -2.62015715242762 3.77812671552072 C -10.77648316660856 -1.36878744622447 4.31794515180131 C -11.87896256432281 -0.47972705675457 4.78228979518942 Cl -12.26059575223914 -0.82569749970212 6.52363596468849 C -9.44622582173455 -0.97671527216639 4.44282623409712 C -8.42608387152394 -1.80968381726460 4.02813282842906 C -0.78094981252819 -4.54178439663736 6.69427975575114 C -2.23981401027389 -4.32161993523577 6.27210387865037 C -3.21755820880402 -4.70639673755775 7.43173118302447 C -3.33477183469149 -6.17901562089255 7.64046965407984 C -2.50411217894944 -6.87098723105923 8.51968916333668 C -2.59767564926940 -8.24261147324423 8.64954001656505 C -3.53794542515475 -8.96444378594701 7.91597816499899 C -3.61447394283725 -10.44501848703864 8.02245943479328 Cl -2.59881279051859 -11.21115507951196 6.71519372910616 C -4.38332268617157 -8.27182985035645 7.04960990094659 C -4.28264694634044 -6.90244588304453 6.91716297496186 H -4.99534260392696 -2.91309483491621 -0.40406363583129 H -4.45911138324391 -1.23515089192763 -0.36382838967582 H -3.30150652157137 -2.51343138702806 -0.73157373304334 H -4.73636378219993 -1.94453792215388 1.90546645045596 H -2.77773351231242 -0.50221482519473 1.25760660203410 H -2.72645318901902 -1.32209044534723 2.84006931340880 H -1.21460118996745 -3.10544203295938 3.30333611490274 H 0.99633032571110 -4.11612462647454 2.81879057988387 H 2.69784315835251 -3.91134677873828 -0.46958574935975 H 2.65387170025889 -4.76207370081488 1.10719437033519 H 1.08436930313903 -2.10900009480481 -0.94921345819044 H -1.08905470066791 -1.08241464672441 -0.45850469842834 H -8.59281886680435 -4.86702050779165 5.50515969500871 H -8.20870189333959 -6.26376920735559 4.50212196564585 H -7.24534100725509 -5.91658830524714 5.94388991459389 H -6.53619015791619 -3.73421890051127 4.93353277049966 H -6.83188153734649 -3.40215148442185 2.50285581510771 H -7.97223793740604 -4.76984840887050 2.44173233334894 H -10.26929297953006 -4.41965434499615 2.94818859747678 H -12.08259671105819 -2.94042901797248 3.67919094592334 H -11.60462054279075 0.57312509262800 4.74675877080890 H -12.80705068789415 -0.65433197827676 4.24071769662714 H -9.21451630541150 -0.01019387660280 4.86745648152096 H -7.39698363153930 -1.49259127535713 4.12379639780638 H -0.54954106804614 -3.88478455205616 7.52950741241982 H -0.11239055188538 -4.29216848766227 5.87308703029011 H -0.59218133632464 -5.56622011932713 7.00332867764888 H -2.37363037489931 -3.23971946679756 6.12972251615691 H -4.19478638145306 -4.29685843892328 7.15613504126853 H -2.86871484745220 -4.21659774918508 8.34229099482152 H -1.77879589092986 -6.32796487746381 9.10858756867265 H -1.93950921474942 -8.76523623683066 9.32928561347793 H -4.62119212821938 -10.82577771906212 7.85977769488457 H -3.20670851135153 -10.81891664581394 8.95972815046999 H -5.12271643476936 -8.82259888494234 6.48431693287224 H -4.93602748401124 -6.36030400890705 6.24474930154978 N -4.01126118385803 -2.57077072994629 4.48947034935925 H -4.08849043073334 -1.66036464692486 4.93444930153147 94 energy: -132.580928530221 gnorm: 0.000641239121 xtb: 6.5.1 (b24c23e) N -3.72415914914033 -3.73179295842459 1.85125579475946 C -3.05482317604663 -4.62490753311197 0.92942341859203 C -2.52516406429073 -5.83224493236361 1.70200934535393 N -3.44727315579993 -6.15577313549473 2.78399941315600 C -4.67193182826318 -6.76565235664286 2.27138377758397 C -5.78380409933492 -6.53971115980267 3.29272472351911 N -5.60816969389866 -5.21706611671443 3.85843871229191 Mo -3.93980260383660 -4.18729185328026 3.75836641551164 N -2.61981624746164 -4.94343159234106 5.01518072298053 C -1.93405643242978 -6.17673113593503 4.70237468003583 C -2.81388733564882 -7.01528664602146 3.77775393327203 H -1.73493452066284 -6.77046207782055 5.60349176470894 H -0.95785379906127 -5.97870743096606 4.22105048498288 H -3.59639124657564 -7.47346321575545 4.38671747711050 H -2.22956596071359 -7.81762191616407 3.30042293628851 H -6.75271401111606 -6.64108437345853 2.78681095005739 H -5.74754533901884 -7.31478739240718 4.07819061134347 H -4.94779909289392 -6.25426288531063 1.34574668730215 H -4.52778636188355 -7.83522486931347 2.05499415378770 H -2.20787906482475 -4.13517874483172 0.42915405006719 H -3.74763570618744 -4.95569466419010 0.13495231477906 H -1.56348375602099 -5.56183393185668 2.14579196822323 H -2.37366179710538 -6.69331142350035 1.03128262087365 C -4.17445643075182 -2.27132907073243 -0.14059444277382 C -3.88484853675746 -2.38082840633698 1.36225054316255 C -2.67160486007371 -1.46677913534681 1.75377440397884 C -1.33182133722277 -2.04325573293083 1.44409584850750 C -0.71198569858760 -2.88809492687328 2.36691873768825 C 0.51768439158306 -3.45131319656794 2.09779403818315 C 1.17179593165058 -3.19180261844630 0.88926079570418 C 2.50395311692892 -3.78469195427668 0.60563657835462 Cl 3.82848582048685 -2.68948548779360 1.23016423676547 C 0.56956870018924 -2.32307917102048 -0.01848177115369 C -0.65804791074223 -1.75451312420036 0.25483498519175 C -7.78129813573126 -5.48555951907786 5.10064503423402 C -6.83784977725728 -4.58658020221383 4.29099528271536 C -7.57834234165658 -3.97263952955070 3.06888797829803 C -8.69011575768402 -3.06247414836639 3.48535688975376 C -10.02209802903448 -3.44607877290282 3.37095353578306 C -11.04041135683179 -2.60814336538304 3.78421668773513 C -10.75320006992215 -1.35902245041650 4.32517572736904 C -11.84968635071710 -0.46472660557545 4.79347465665150 Cl -12.23326874694646 -0.81655192641049 6.53340582233928 C -9.42040394116290 -0.97453093228881 4.44770723240733 C -8.40596340436360 -1.81285546790234 4.02985572635330 C -0.78368957908856 -4.54798664335484 6.69351339248485 C -2.24099969405671 -4.32465422980761 6.26785006540000 C -3.22196732848868 -4.70375472503579 7.42643553233057 C -3.34128784489338 -6.17559670886019 7.63955368091103 C -2.51185561046941 -6.86574121609271 8.52131377727113 C -2.60626540224857 -8.23698898486646 8.65456140689785 C -3.54652192414754 -8.96003096000171 7.92228277050649 C -3.62401327105210 -10.44032490386195 8.03248769477292 Cl -2.60603565932670 -11.21011445152188 6.72923448337822 C -4.39081448074291 -8.26915102843554 7.05350146758671 C -4.28893715413897 -6.90020755140088 6.91723049217210 H -4.99523039751435 -2.93079094167296 -0.41618771145519 H -4.46666651568745 -1.25050522444944 -0.37549656447698 H -3.30168416393403 -2.52394226614783 -0.73658204186249 H -4.75109380084411 -1.95933937794549 1.89347492614177 H -2.79991028728100 -0.50533370087919 1.25365308679493 H -2.74787263062129 -1.32574250486217 2.83586044877099 H -1.22502223182723 -3.09732492270745 3.30417823219245 H 0.99294105956172 -4.09489415193442 2.82509771565700 H 2.69940350106825 -3.88391355951257 -0.46027909374406 H 2.65773168944335 -4.73277389795996 1.11748886231384 H 1.07565583914403 -2.09249248769188 -0.94553055643904 H -1.10449247253734 -1.07779979206245 -0.45973579065674 H -8.59523303063220 -4.88329371212549 5.49708601653721 H -8.20954284171453 -6.27697540363768 4.49029725247077 H -7.25055969340222 -5.93612201841772 5.93644178393695 H -6.53520364600111 -3.75131999385933 4.93675392266467 H -6.82204226181688 -3.41261646267810 2.50414904218425 H -7.97079411234053 -4.77341344357027 2.43904849206452 H -10.26614384159402 -4.41169155847729 2.95210806727830 H -12.06961095951975 -2.92272656334818 3.68803737483455 H -11.56823984896552 0.58642297979641 4.76294396834334 H -12.77907699304329 -0.63056687671211 4.25123907959189 H -9.18261185679817 -0.00928321573096 4.87096741664699 H -7.37486690568144 -1.50175397949898 4.12269561133315 H -0.55258227607946 -3.89090022291512 7.52874659865891 H -0.11267900250760 -4.30071357486163 5.87365347316678 H -0.59811075315852 -5.57261589031838 7.00379725724733 H -2.37140032530656 -3.24272054469079 6.12228422348713 H -4.19794069914002 -4.29386419458371 7.14694321670246 H -2.87472443537694 -4.21134635148964 8.33620712485296 H -1.78673077913271 -6.32167389032364 9.10945333759404 H -1.94871822553246 -8.75828485751632 9.33594756178145 H -4.63059777531309 -10.82095783845203 7.86874278644418 H -3.21828825307382 -10.81204374438467 8.97150749329268 H -5.13032921297806 -8.82086111018779 6.48930531788604 H -4.94124772399896 -6.35953298577979 6.24262994052909 N -4.01649562735700 -2.57808718474810 4.48353562096902 H -4.09647139303746 -1.66693404010943 4.92649325871979 94 energy: -132.580946308596 gnorm: 0.000567016662 xtb: 6.5.1 (b24c23e) N -3.72702347874867 -3.73947667781684 1.84678705618536 C -3.05161643748424 -4.63060951634455 0.92744468392015 C -2.52115979676385 -5.83655897066644 1.70179765043023 N -3.44525226081402 -6.16137201526342 2.78157530321208 C -4.66860473980171 -6.77139974672385 2.26613808797817 C -5.78172329712313 -6.54911359996134 3.28691136314911 N -5.60703480653848 -5.22802341816711 3.85633694008677 Mo -3.94112615882069 -4.19420621280348 3.75503901340685 N -2.62111626902168 -4.94812245225622 5.01301425477273 C -1.93543470392158 -6.18208638982030 4.70263616822357 C -2.81375653063511 -7.02069006867548 3.77659226185834 H -1.73882958885575 -6.77534359833178 5.60464598662724 H -0.95796889894911 -5.98507318030364 4.22344952187610 H -3.59747285344525 -7.47859277317829 4.38419832713556 H -2.22868191594515 -7.82323538596930 3.30051340542855 H -6.75003797280263 -6.64930101765678 2.77962343325773 H -5.74614290312603 -7.32625383432301 4.07038777701820 H -4.94414875362840 -6.25778124922395 1.34165779560669 H -4.52306394070222 -7.84022746808615 2.04708007798153 H -2.20444624799255 -4.13821253299652 0.43017606156118 H -3.74040382872193 -4.96354742381419 0.13041519066880 H -1.56118080011878 -5.56390012019924 2.14787437732840 H -2.36616782071245 -6.69763183309973 1.03185787166036 C -4.17889038169119 -2.28387576579465 -0.14832905158148 C -3.89349757707717 -2.38997251763226 1.35559602095741 C -2.68632456484291 -1.46930294152235 1.74997831634792 C -1.34297159397300 -2.03870514273434 1.44319166348574 C -0.72077189134980 -2.88026357975800 2.36737479175786 C 0.51234429778367 -3.43711172044893 2.10083349888255 C 1.16753260007246 -3.17446905230186 0.89352042405995 C 2.50329761060109 -3.76031035190696 0.61272098109238 Cl 3.82073218946350 -2.65744092497480 1.23935660132239 C 0.56263127044389 -2.30910722547848 -0.01565810780053 C -0.66843789133673 -1.74682414766494 0.25511392096799 C -7.78301232961657 -5.49952203766232 5.09342281308354 C -6.83704513428276 -4.59852636044672 4.28910056049960 C -7.57430015372699 -3.97927614976034 3.06778749833438 C -8.68067857603998 -3.06346932666736 3.48577060693810 C -10.01468921377057 -3.44081319551196 3.37526145692406 C -11.02771319607904 -2.59795980339147 3.79149596067393 C -10.73288592166203 -1.35022086176563 4.33149435187401 C -11.82375920720482 -0.45120233528297 4.80375283024288 Cl -12.20748083655576 -0.80740021984316 6.54277147021137 C -9.39797569764290 -0.97177137663872 4.44951414764126 C -8.38884966160747 -1.81499440522685 4.02868763269572 C -0.78624800188008 -4.55236745796072 6.69287813942229 C -2.24252543858756 -4.32719751400986 6.26478024845702 C -3.22582047503368 -4.70180107010923 7.42278584458929 C -3.34669721273697 -6.17303041757973 7.63919251277663 C -2.51903359900962 -6.86165176213401 8.52378555678648 C -2.61433709239372 -8.23261269756984 8.65985268509959 C -3.55380228280466 -8.95664323109146 7.92764793718478 C -3.63217671521869 -10.43674064896302 8.04087181343925 Cl -2.61208743938058 -11.20949565807913 6.74127984197012 C -4.39646883824024 -8.26720874239544 7.05615902770485 C -4.29363556094516 -6.89860921158752 6.91696402498706 H -4.99617186678322 -2.94683598668922 -0.42601647831058 H -4.47427767617927 -1.26444316952098 -0.38534582102283 H -3.30311530195306 -2.53361456759947 -0.74108888188209 H -4.76368698331728 -1.97242001371784 1.88348655225663 H -2.81887354433771 -0.50873346843704 1.24932500176901 H -2.76567719390478 -1.32859197865946 2.83186860465841 H -1.23465099173212 -3.09208849775032 3.30364315130231 H 0.98942903431276 -4.07811856569102 2.82917483731711 H 2.70148043577313 -3.85893522457043 -0.45275014049389 H 2.66148915239834 -4.70715068000212 1.12553884991434 H 1.06936088714801 -2.07611105569100 -0.94176075237146 H -1.11692660103060 -1.07246325773115 -0.46034370942639 H -8.59773615556361 -4.89801986495625 5.48940584270150 H -8.20991956864741 -6.28897076743376 4.47963951763331 H -7.25483277299892 -5.95280589155347 5.92933224619497 H -6.53512943952730 -3.76580733437142 4.93844453313214 H -6.81475419655670 -3.42267729172542 2.50403728468412 H -7.97097161322920 -4.77721646592735 2.43709340914942 H -10.26458655268332 -4.40505245069153 2.95612976591449 H -12.05886386126486 -2.90731987826329 3.69756318126197 H -11.53626447625153 0.59839896487613 4.77700275020625 H -12.75466150635567 -0.60981354340703 4.26206257888181 H -9.15413593832344 -0.00787491259164 4.87319844719016 H -7.35567021194127 -1.50945189488490 4.11943926890058 H -0.55541643384608 -3.89461557462607 7.52765747391640 H -0.11340126967509 -4.30738630484567 5.87383236395186 H -0.60306599386664 -5.57691390919436 7.00483486013018 H -2.37055445688263 -3.24532532067348 6.11668085884023 H -4.20092748312253 -4.29160644589492 7.14073346535442 H -2.87940636264594 -4.20750236496995 8.33184848272331 H -1.79443268349433 -6.31676575288829 9.11177604131674 H -1.95776268271117 -8.75279627124924 9.34299396928661 H -4.63866398322911 -10.81715553575376 7.87605216748966 H -3.22845771533281 -10.80656735096695 8.98151102230895 H -5.13557687804888 -8.81969407365780 6.49222170366690 H -4.94457004974061 -6.35910669519324 6.24009620022143 N -4.02111625874425 -2.58424895694693 4.47823765182511 H -4.10245228471781 -1.67267930658054 4.92010206900077 94 energy: -132.580965228653 gnorm: 0.000414082759 xtb: 6.5.1 (b24c23e) N -3.72943299200253 -3.74767148817112 1.84299875982196 C -3.04809290446026 -4.63649947732901 0.92581205409136 C -2.51688258400020 -5.84089215993158 1.70217463058988 N -3.44309106335765 -6.16677530001722 2.77973953728097 C -4.66481952951491 -6.77739763893020 2.26121702045424 C -5.77989680768333 -6.55780826226320 3.28039104433510 N -5.60635460229625 -5.23808085843235 3.85326570243410 Mo -3.94257413353161 -4.20062856542279 3.75223356265499 N -2.62264904324461 -4.95238528371998 5.01144443418699 C -1.93681851583871 -6.18689257707087 4.70347124386614 C -2.81348384273413 -7.02579617294163 3.77611821463114 H -1.74245179489722 -6.77954278703547 5.60637337036489 H -0.95820528263941 -5.99068148008644 4.22630008163770 H -3.59842845839254 -7.48332658876750 4.38240479773259 H -2.22754133278622 -7.82860696848762 3.30149856594045 H -6.74719481548913 -6.65677926982039 2.77089177460998 H -5.74578244908958 -7.33684282776678 4.06205691239900 H -4.93944935263118 -6.26228504254377 1.33733068896307 H -4.51777301992738 -7.84566631484006 2.04039205911108 H -2.20067132060154 -4.14139186329305 0.43160075888102 H -3.73288499805080 -4.97153873216699 0.12623968637295 H -1.55852735474403 -5.56613005210969 2.15047194067507 H -2.35856592826662 -6.70192809881552 1.03296819610012 C -4.18387649547261 -2.29646562456491 -0.15507549689321 C -3.90166825235285 -2.39963759687411 1.34963088596448 C -2.70039654510628 -1.47195879442909 1.74527353696619 C -1.35354241879498 -2.03450602621498 1.44152708687525 C -0.72936336883388 -2.87359093017431 2.36668103040069 C 0.50702895707292 -3.42418551693757 2.10262261748019 C 1.16380615450250 -3.15743371536769 0.89701392271325 C 2.50306655643902 -3.73609497510456 0.61903063131790 Cl 3.81371338114605 -2.62631057480021 1.24911922809408 C 0.55682603024490 -2.29428701496890 -0.01293707641593 C -0.67767096445193 -1.73845568821954 0.25524204073830 C -7.78475184878023 -5.51335763006007 5.08564892599068 C -6.83692546883601 -4.60997644271300 4.28632337654658 C -7.57157730519648 -3.98616972355597 3.06577520230434 C -8.67217867228653 -3.06454568620772 3.48594134609852 C -10.00836072499963 -3.43564310485818 3.38021876001982 C -11.01585201933103 -2.58770731716881 3.79950232468151 C -10.71307130384597 -1.34110846122787 4.33775525562955 C -11.79794481087847 -0.43729908102282 4.81470132308946 Cl -12.18079635653852 -0.79699137631544 6.55318395860790 C -9.37595222583209 -0.96863820771206 4.45036513757958 C -8.37234651207329 -1.81692255600313 4.02654678678926 C -0.78916841662971 -4.55538643263851 6.69271879335119 C -2.24459352891191 -4.32915880753738 6.26227438868569 C -3.22939759135661 -4.70038952177926 7.42003845714991 C -3.35173167737858 -6.17108968275642 7.63925241689199 C -2.52635952030958 -6.85829379194366 8.52698165455593 C -2.62256475948506 -8.22898716367346 8.66548700830977 C -3.56069574170547 -8.95393650512040 7.93260937934064 C -3.64013614166400 -10.43386701565754 8.04866338468790 Cl -2.61789839958722 -11.20965844328728 6.75292440763212 C -4.40109571047090 -8.26587415419844 7.05791744985706 C -4.29736878170764 -6.89758303969975 6.91625068977112 H -4.99781001574836 -2.96310467086945 -0.43372599035601 H -4.48297390690257 -1.27855478726381 -0.39424077415861 H -3.30575746900821 -2.54340783015256 -0.74549748303433 H -4.77522655954178 -1.98584809592138 1.87486969118442 H -2.83706279437308 -0.51234515916230 1.24390471179744 H -2.78258923136029 -1.33126000221057 2.82689663809725 H -1.24446839592091 -3.08871608239054 3.30158313161780 H 0.98553986208805 -4.06344666232214 2.83155071806719 H 2.70448926057362 -3.83307817113171 -0.44595779869319 H 2.66543969947888 -4.68206426371659 1.13197114712722 H 1.06458794852217 -2.05805673752138 -0.93765034252972 H -1.12799057553058 -1.06595109596561 -0.46082858813474 H -8.60052320772533 -4.91302817475948 5.48126493544058 H -8.21001403750848 -6.30111874836059 4.46857469328393 H -7.25868526521907 -5.96896364502107 5.92160755299524 H -6.53590896891385 -3.77961330544070 4.93912443357775 H -6.80923044611311 -3.43315490900703 2.50233842863733 H -7.97306837132695 -4.78138637969687 2.43466676188991 H -10.26414829115385 -4.39913026459366 2.96313908739631 H -12.04865495058287 -2.89254561850613 3.71044896616814 H -11.50451152637191 0.61064598899478 4.79083795919210 H -12.73064298690764 -0.58886760557147 4.27418919884604 H -9.12615458316581 -0.00538377054806 4.87181609595215 H -7.33748533015866 -1.51600645135429 4.11210431465577 H -0.55860692273273 -3.89623762601166 7.52646802749866 H -0.11493247948412 -4.31288397171365 5.87410875273669 H -0.60769552089354 -5.57953984621354 7.00697410743863 H -2.37111624688026 -3.24741857084942 6.11183763464155 H -4.20382543766152 -4.28991368419685 7.13612026285472 H -2.88345977097808 -4.20453606242063 8.32843924040959 H -1.80296708035405 -6.31261673781597 9.11571750028212 H -1.96793680558011 -8.74807498056488 9.35137623998339 H -4.64657550382012 -10.81392574363726 7.88272062568725 H -3.23859940254315 -10.80184414244140 8.99095870625226 H -5.13901288684007 -8.81914820443970 6.49320631607484 H -4.94632154965126 -6.35914022409925 6.23659490153604 N -4.02600213336194 -2.59018073802603 4.47389185528255 H -4.10860550676385 -1.67823361232900 4.91476146835073 94 energy: -132.580990504750 gnorm: 0.000371127117 xtb: 6.5.1 (b24c23e) N -3.73170499609873 -3.75781039048600 1.83864624148188 C -3.04300326185910 -4.64397158797972 0.92441060164127 C -2.51096594932034 -5.84659384214542 1.70314852809819 N -3.43986217692998 -6.17398006197438 2.77788562161218 C -4.65930753447449 -6.78576443734966 2.25545474548314 C -5.77792551083869 -6.56854565915474 3.27133008894697 N -5.60612892718351 -5.25032091173538 3.84808738909454 Mo -3.94456612502343 -4.20904805761271 3.74855005307216 N -2.62474091552859 -4.95734056320199 5.00993393355426 C -1.93831107118517 -6.19234958177164 4.70519053982518 C -2.81257616925254 -7.03213879958465 3.77635917144304 H -1.74644505525939 -6.78394070181133 5.60933266600505 H -0.95838447356264 -5.99689887493188 4.23041812878054 H -3.59903906515082 -7.48918037658275 4.38103326898583 H -2.22534883319600 -7.83527963033886 3.30385195019608 H -6.74347357487666 -6.66579187654886 2.75812378810519 H -5.74682535229803 -7.34951171793737 4.05118168649462 H -4.93187414250140 -6.27016685676837 1.33128980145913 H -4.51014904659262 -7.85358663871114 2.03399081285532 H -2.19542129146748 -4.14551225674279 0.43378911271617 H -3.72294435634237 -4.98164909340638 0.12186885557701 H -1.55465496880417 -5.56928286576522 2.15422539895541 H -2.34853062162448 -6.70767557781660 1.03499908066859 C -4.19160956149593 -2.31331794358263 -0.16289918267610 C -3.91174544337873 -2.41181078829835 1.34255361721871 C -2.71755372543479 -1.47554891276042 1.73902165467906 C -1.36635550133752 -2.02941034192952 1.43872635935295 C -0.73991206690580 -2.86613633750028 2.36458934525532 C 0.50059431380893 -3.40863773647592 2.10356801493359 C 1.15987678133540 -3.13548095156091 0.90067356571907 C 2.50358553231029 -3.70481304525244 0.62629259675519 Cl 3.80543960216766 -2.58680365704868 1.26243289063633 C 0.55050720128324 -2.27430796955105 -0.00971329507876 C -0.68846559868354 -1.72707545091962 0.25517675475450 C -7.78707158064863 -5.53112864007028 5.07499514822374 C -6.83772762942964 -4.62440729875154 4.28143737589676 C -7.57000937181190 -3.99536545497607 3.06207869324096 C -8.66282636182957 -3.06594345186354 3.48519971589889 C -10.00174481234913 -3.42925317785375 3.38805538141383 C -11.00156986317966 -2.57456832722130 3.81207954750321 C -10.68799681776992 -1.32900550580796 4.34653633736969 C -11.76467339830378 -0.41846929142226 4.82941647806203 Cl -12.14503647069879 -0.78120694732773 6.56773672261047 C -9.34808628352076 -0.96405132864404 4.44997876324180 C -8.35215536140660 -1.81900632763529 4.02131038290954 C -0.79310605316731 -4.55753875251523 6.69282585498380 C -2.24776760539129 -4.33133773252588 6.25974854075418 C -3.23410026759994 -4.69913677924271 7.41733611485728 C -3.35780417596696 -6.16929083872765 7.63945035774730 C -2.53625696108514 -6.85471039889151 8.53200769297747 C -2.63379841257923 -8.22505483620562 8.67357220021148 C -3.56927992736090 -8.95122533394275 7.93865898763635 C -3.65026233635584 -10.43093696985366 8.05825096681507 Cl -2.62509093061603 -11.21083492683762 6.76777457827391 C -4.40570703935086 -8.26492688752879 7.05881824064594 C -4.30088241653492 -6.89700415457342 6.91431673890966 H -5.00129696121851 -2.98496190307449 -0.44200092416162 H -4.49597527869128 -1.29755879379954 -0.40451845621432 H -3.31081606245113 -2.55631176030738 -0.75101842037161 H -4.78906782096425 -2.00283091151401 1.86529117247199 H -2.85979939545433 -0.51770521472760 1.23582698194581 H -2.80279067151034 -1.33375826353944 2.82025302485726 H -1.25678827511396 -3.08608259763372 3.29746696161811 H 0.98065338447451 -4.04639446636337 2.83281546315434 H 2.70956869917899 -3.79865376769246 -0.43807082326970 H 2.67104925636097 -4.65014113185658 1.13858152385871 H 1.06001544991594 -2.03290227305093 -0.93213438603755 H -1.14078447570360 -1.05623817877630 -0.46121139358702 H -8.60432351801767 -4.93258145702934 5.47024787672377 H -8.21003444154192 -6.31696663986972 4.45389466842581 H -7.26326149348309 -5.98937059521383 5.91093053769873 H -6.53809413177413 -3.79672522586776 4.93831168499643 H -6.80475634727904 -3.44735137195902 2.49777625605926 H -7.97832933507849 -4.78745169891203 2.43143957385649 H -10.26566364760600 -4.39190880425177 2.97414426744823 H -12.03686745955351 -2.87317025075901 3.72942766421160 H -11.46321627305994 0.62724782851271 4.80808179560544 H -12.70010441702473 -0.56114673742615 4.29112628060849 H -9.09008995265622 -0.00149223571050 4.86801689506965 H -7.31467971623635 -1.52457004358872 4.10058674785100 H -0.56299606633187 -3.89582491362431 7.52464927705895 H -0.11745843607962 -4.31846933258730 5.87439595951409 H -0.61323074470218 -5.58082547518310 7.01079312359940 H -2.37327203731543 -3.24986050636673 6.10662147811541 H -4.20792176152584 -4.28843626997538 7.13164620296092 H -2.88857094258290 -4.20172170261538 8.32504215625494 H -1.81480719894809 -6.30802714038339 9.12217306090560 H -1.98215974166000 -8.74275448665373 9.36329052197148 H -4.65664890272804 -10.81037873075292 7.89053560449856 H -3.25190069465793 -10.79662765867599 9.00279342741223 H -5.14153688481699 -8.81924926287065 6.49244601937479 H -4.94697482297475 -6.35981992247799 6.23095350136217 N -4.03243666657167 -2.59818239013406 4.46863602839277 H -4.11678025196692 -1.68584785564032 4.90841705896933 94 energy: -132.581022087350 gnorm: 0.000619780017 xtb: 6.5.1 (b24c23e) N -3.73397820005900 -3.77195774474015 1.83352018989936 C -3.03581171523541 -4.65458058833153 0.92307771244334 C -2.50255642774769 -5.85470132162742 1.70506410342519 N -3.43517570126697 -6.18415323682139 2.77595913738839 C -4.65096437173469 -6.79857657776076 2.24805585188870 C -5.77520882667127 -6.58341958446517 3.25829224221732 N -5.60635821798336 -5.26688069923670 3.83964326114844 Mo -3.94775678608839 -4.22060280540093 3.74396203177185 N -2.62764649310012 -4.96371075875306 5.00820127947381 C -1.93983754101485 -6.19914956239229 4.70815311535670 C -2.81066530751740 -7.04060800780393 3.77754264048114 H -1.75101332871261 -6.78896994812054 5.61413821050751 H -0.95820331264056 -6.00439574996935 4.23659415923179 H -3.59910279809541 -7.49723807663538 4.37999025018178 H -2.22137159954649 -7.84406352139300 3.30809646424122 H -6.73781164137069 -6.67831741766677 2.73898728081959 H -5.74928081506437 -7.36646213232480 4.03629008102578 H -4.92004680652065 -6.28407921746959 1.32229249407427 H -4.49864732090705 -7.86620351367569 2.02784780873847 H -2.18813177705644 -4.15178243223728 0.43696628478070 H -3.70949631446577 -4.99580456224625 0.11681601749624 H -1.54906624372418 -5.57393633328747 2.15998000433396 H -2.33441411010763 -6.71580926535196 1.03832183787285 C -4.20293046515308 -2.33689307562681 -0.17262323610125 C -3.92508882771190 -2.42892871501422 1.33361835189845 C -2.74040444816574 -1.48056481804787 1.72993362264573 C -1.38319823331696 -2.02217370989086 1.43420263112880 C -0.75364934654260 -2.85605118525672 2.36074206815046 C 0.49259141231568 -3.38713643292265 2.10381852231157 C 1.15532925393383 -3.10444087024320 0.90489290552822 C 2.50507230131849 -3.66088659270260 0.63527793183116 Cl 3.79473689455584 -2.53308612005468 1.28140373954885 C 0.54271388407565 -2.24558767499493 -0.00573608174064 C -0.70247205717017 -1.71048823438642 0.25470112251103 C -7.79046685297386 -5.55559324919694 5.05952110966346 C -6.83951212090047 -4.64424754000359 4.27335794511429 C -7.56990495413985 -4.00886677510859 3.05608268200759 C -8.65132873040561 -3.06847892289486 3.48439043778406 C -9.99426034447729 -3.42061937961274 3.40026646786600 C -10.98282206854357 -2.55599489735441 3.83078010057720 C -10.65353719630394 -1.31154152366520 4.35862197452402 C -11.71805393019661 -0.39099091626041 4.84994734186891 Cl -12.09348104440893 -0.75576515721827 6.58865125443355 C -9.30957353999626 -0.95744460519892 4.44826315629999 C -8.32492077543689 -1.82234810949513 4.01323575658868 C -0.79897365492189 -4.55909950431394 6.69332045066891 C -2.25280906096401 -4.33391428927328 6.25678863128960 C -3.24096991563178 -4.69805845296887 7.41404413841422 C -3.36623706919859 -6.16756434063310 7.63973468103478 C -2.55047353039496 -6.85049659177590 8.53939892240053 C -2.64982875159488 -8.22035343629765 8.68504351981723 C -3.58102413002417 -8.94833349404930 7.94656683869048 C -3.66434257869614 -10.42764807181995 8.07108058519251 Cl -2.63473972676027 -11.21345972725442 6.78820557839514 C -4.41139547064592 -8.26451977616634 7.05911398720851 C -4.30524334739663 -6.89708785632276 6.91105096564555 H -5.00660307582480 -3.01592010943221 -0.45141918286972 H -4.51532588705623 -1.32437333806169 -0.41770853737038 H -3.31897421168842 -2.57423373818533 -0.75832904119735 H -4.80719806360689 -2.02662329241190 1.85360038005536 H -2.89057501205446 -0.52546741008698 1.22382104944664 H -2.82921832798106 -1.33655410964799 2.81058354648368 H -1.27307341841254 -3.08316868080946 3.29062661674575 H 0.97462852173229 -4.02335772615761 2.83313911801362 H 2.71768577910727 -3.74933178072982 -0.42824334440583 H 2.67916395405277 -4.60590281945564 1.14589034433539 H 1.05466457419530 -1.99650268489991 -0.92477697174743 H -1.15747734405103 -1.04164010955941 -0.46190211646075 H -8.60974438983724 -4.95968532577872 5.45455879380385 H -8.21027400545573 -6.33915131237498 4.43343413394227 H -7.26909699616927 -6.01697591957676 5.89520795244975 H -6.54202521116698 -3.81967968781760 4.93511195579004 H -6.80142590345358 -3.46805409333418 2.48931358715302 H -7.98833409676274 -4.79695289074608 2.42705942068278 H -10.27021014040527 -4.38234892743574 2.99173354974695 H -12.02130724273657 -2.84628014215123 3.75973075202720 H -11.40541447672878 0.65150420567557 4.83073030089295 H -12.65768175136306 -0.52185541929514 4.31599292018540 H -9.03936492621272 0.00424433425136 4.86111007332506 H -7.28420468967073 -1.53651840203122 4.08099317057380 H -0.56976124863844 -3.89324556708618 7.52208764647198 H -0.12161757323016 -4.32477561647061 5.87493310224863 H -0.62062527807072 -5.58090499364278 7.01696196000415 H -2.37780097717466 -3.25287062565510 6.10019374026918 H -4.21415241436528 -4.28728227839769 7.12629033515949 H -2.89606169545444 -4.19873792896217 8.32094541617374 H -1.83223029074975 -6.30231736474524 9.13212154741641 H -2.00305045276654 -8.73607711356986 9.38082259815048 H -4.67060743264996 -10.80622943946208 7.90057949661871 H -3.27069279712853 -10.79022524561218 9.01882244806902 H -5.14357001657158 -8.82043326011354 6.48956258960739 H -4.94663804660837 -6.36167976553314 6.22171659385719 N -4.04202772548205 -2.60901724693659 4.46160733065387 H -4.12895762706491 -1.69644607003224 4.90037316169577 94 energy: -132.581027023877 gnorm: 0.000329610913 xtb: 6.5.1 (b24c23e) N -3.73347850270064 -3.77180031716356 1.83407842305447 C -3.03587410659337 -4.65461569846912 0.92345861313603 C -2.50259320570204 -5.85469245543195 1.70540667112458 N -3.43502773383544 -6.18447071267323 2.77642463581229 C -4.65052378440126 -6.79975822787794 2.24888713103294 C -5.77531195260605 -6.58356282685079 3.25831306619694 N -5.60679638998378 -5.26661173553143 3.83892396231880 Mo -3.94785504237209 -4.22063267244210 3.74431145778995 N -2.62761809865591 -4.96355415356832 5.00846434302137 C -1.93943885540630 -6.19871489751175 4.70835488046773 C -2.80995732001863 -7.04062653622641 3.77794547064439 H -1.75027866191790 -6.78843074740672 5.61433183330549 H -0.95793205136572 -6.00364012309141 4.23668087058898 H -3.59805251454688 -7.49761728425118 4.38056136472281 H -2.22039949572942 -7.84379534982294 3.30838381629239 H -6.73767585592931 -6.67885521247835 2.73868176634210 H -5.74969866813450 -7.36615164519741 4.03677592859274 H -4.91920209563143 -6.28667612309119 1.32223248633246 H -4.49786939742795 -7.86766710666188 2.03021552424029 H -2.18831042008219 -4.15206130971066 0.43685016171794 H -3.71006814521792 -4.99580064051377 0.11761654326817 H -1.54910285182938 -5.57389743863764 2.16025570329341 H -2.33443912902991 -6.71574202279741 1.03863722255591 C -4.20333249810989 -2.33712413098644 -0.17180575477536 C -3.92466787556627 -2.42891114163014 1.33426603612763 C -2.73986326192304 -1.48041593033189 1.72972650212996 C -1.38274653176989 -2.02191912362961 1.43368169068387 C -0.75291787164330 -2.85568055449818 2.36011669641813 C 0.49333959832816 -3.38645922987789 2.10312806302569 C 1.15581376580791 -3.10351372864826 0.90425852550017 C 2.50565563916772 -3.65984202725000 0.63459700530191 Cl 3.79469242103155 -2.53221986885895 1.28132169212207 C 0.54297798984200 -2.24478180155326 -0.00625060198720 C -0.70222672018287 -1.70995001877849 0.25426290931809 C -7.79040917160350 -5.55557918641344 5.05970667043897 C -6.84010446061848 -4.64428531481862 4.27261075817146 C -7.57158032871079 -4.00971104976434 3.05537191784019 C -8.65249698382240 -3.06902258254820 3.48385020880211 C -9.99540339723867 -3.42066788170475 3.40105611844777 C -10.98314087194090 -2.55559009687330 3.83192321249967 C -10.65308534479182 -1.31109049609601 4.35873645477488 C -11.71678126381206 -0.38966358815074 4.84955169012335 Cl -12.09129509650803 -0.75206875841540 6.58907510387135 C -9.30916329588089 -0.95772136253113 4.44751967782267 C -8.32534496630206 -1.82306569937140 4.01209183625457 C -0.79938274412522 -4.55827785684814 6.69383047900953 C -2.25329499382305 -4.33376717657157 6.25719977570097 C -3.24140831005584 -4.69868186175952 7.41424837918005 C -3.36635493251833 -6.16829822271202 7.63956156744585 C -2.55093274227606 -6.85116164455215 8.53948021923323 C -2.65034459677870 -8.22098080524365 8.68515564806230 C -3.58121511642260 -8.94908398264474 7.94640134397909 C -3.66458774668981 -10.42830742639531 8.07090530313043 Cl -2.63459008566181 -11.21411746813547 6.78828986880632 C -4.41104987430378 -8.26539738915574 7.05848589197201 C -4.30487795526039 -6.89796227542094 6.91044876348676 H -5.00680079597032 -3.01653211404385 -0.44993383964698 H -4.51631971734350 -1.32490268599524 -0.41684665830768 H -3.31963901717235 -2.57419897872569 -0.75799809857599 H -4.80635544326763 -2.02647381738967 1.85481736914055 H -2.89032408729374 -0.52554091451253 1.22340316116414 H -2.82832122089910 -1.33601096907944 2.81035928823100 H -1.27212225945148 -3.08292133390532 3.29001376759150 H 0.97562532646347 -4.02243923842540 2.83250715641660 H 2.71800586026018 -3.74775001228707 -0.42899247323922 H 2.67933351714654 -4.60543201791006 1.14447068170185 H 1.05471549276667 -1.99558678263564 -0.92531187471138 H -1.15733641925710 -1.04112712811925 -0.46230601349887 H -8.60962408047567 -4.95963757727655 5.45478898122476 H -8.21034811713420 -6.33937589803603 4.43395465877554 H -7.26860836542624 -6.01659006216491 5.89540158522826 H -6.54259660773868 -3.81934983094253 4.93396806495643 H -6.80381926965580 -3.46914016232633 2.48735252898106 H -7.99061501955304 -4.79810712803101 2.42727029946409 H -10.27202803541768 -4.38235932807726 2.99337102217782 H -12.02178220330824 -2.84517276638549 3.76105653510983 H -11.40380675557875 0.65267920635504 4.82849804668806 H -12.65668506258446 -0.52077076452287 4.31614314078836 H -9.03832178853787 0.00393327411762 4.85939109376994 H -7.28447353400194 -1.53805264256190 4.07996515288056 H -0.57036842768223 -3.89235577461989 7.52258299373028 H -0.12218234155121 -4.32369525070811 5.87540337766476 H -0.62057597410807 -5.57998832779808 7.01746911927038 H -2.37886874643111 -3.25273657990033 6.10080371969932 H -4.21468681694594 -4.28814822020795 7.12646138809095 H -2.89683419376987 -4.19947731542484 8.32134390642221 H -1.83296423918793 -6.30287128663705 9.13243372971366 H -2.00391865395597 -8.73663067064591 9.38120601301358 H -4.67073886884563 -10.80700388588238 7.90002882432281 H -3.27120727713177 -10.79097600277627 9.01867374897266 H -5.14292584941504 -8.82141502980629 6.48867489996343 H -4.94617528822854 -6.36259482309182 6.22110782485283 N -4.04209376313525 -2.60907629120014 4.46189998774187 H -4.12951205290979 -1.69661494885165 4.90073836145440