112
Coordinates from ORCA-job /scratch/magstr/orcajob__5668093-0Okq/orca
  N   -2.77688048800997     -3.53308695426421      2.48863283770778
  C   -2.15055310586498     -4.46110108879302      1.52923360463076
  C   -2.28890805768078     -5.90232763824273      1.98481718873609
  N   -3.66221813151681     -6.11461194602929      2.47925183693726
  C   -4.66248464537634     -6.07146484862081      1.40002726152375
  C   -6.02467636697221     -5.76673774529170      1.98424269702633
  N   -5.93959070830828     -4.72844346518885      3.02037504354812
  Mo  -4.07605880173477     -4.38933518895553      3.78069365167387
  N   -3.13530812217455     -5.62949842362897      5.05010161820126
  C   -3.06977782623566     -7.04060087872399      4.66523108712870
  C   -3.82098794907132     -7.28239127998318      3.36487042463754
  H   -3.51199987182605     -7.69949399577386      5.43666933696864
  H   -2.02166238708100     -7.37345026105727      4.54816486108981
  H   -4.89617092874423     -7.38400124218660      3.56406159861497
  H   -3.47102109700804     -8.21028355104772      2.87485861244995
  H   -6.66121646784574     -5.44824813710646      1.14286393432803
  H   -6.48873729168239     -6.69286812048631      2.37759724804189
  H   -4.36875958366441     -5.26350051451860      0.71829045937384
  H   -4.67319541008231     -7.01822991885712      0.82880229889259
  H   -1.06981541733535     -4.27119678224749      1.42153402230901
  H   -2.57180800226136     -4.34037995977862      0.51261825164075
  H   -1.60503651910897     -6.09135545769294      2.82205256095344
  H   -2.04440379562907     -6.60594616433298      1.16750722840482
  C   -2.50934198962762     -2.10885268498113      2.11303039276114
  C   -1.00282894200626     -1.87124449902228      1.83758388801610
  C   -0.04349237046049     -2.34564212768914      2.92677860893354
  C   1.41214123187188     -2.05920447240772      2.55528261808677
  C   2.43508111904667     -2.77005713172828      3.41916295669683
  Cl  2.43049388529657     -4.56334796040218      3.11865510266508
  C   -2.98588479291054     -1.16358615396712      3.22460538095181
  C   -2.92795183782839      0.32141319689439      2.85792490936674
  C   -3.75535110685171      0.60373307379849      1.60213034616612
  C   -3.31069947054536     -0.29127736059684      0.44443162823385
  C   -3.32818257793389     -1.77301284453280      0.83597878628311
  C   -7.30198723199224     -4.41004836465089      3.56053031386778
  C   -7.77512857498529     -5.54097407651406      4.51248910041355
  C   -6.89925223868821     -5.75776425013205      5.74304427213666
  C   -7.15685424724073     -7.07386511197323      6.48410345431425
  C   -8.54684166858792     -7.13203085496645      7.08914897694060
  Cl  -8.79798410050134     -8.66103071696522      8.03036453645635
  C   -7.34593677832388     -3.06388028132470      4.30576161768225
  C   -7.02333727265251     -1.86963133027579      3.40788923137500
  C   -7.98394445982174     -1.78711909507641      2.22053353345852
  C   -8.03969276185784     -3.11987971150916      1.46798696526314
  C   -8.35219996035108     -4.27179071518773      2.42428269018726
  C   -2.50381278796509     -5.30810439580806      6.37881383489471
  C   -3.64945824947665     -5.33719104602327      7.41693441327709
  C   -3.32796684418170     -4.88879868485592      8.84140549031541
  C   -4.57384562536081     -4.91929214411084      9.72599900934176
  C   -4.34713335340381     -4.44598136752311     11.14805924027754
  Cl  -3.23264333636110     -5.54752811517894     12.06852985028864
  C   -1.40770592898425     -6.32821474864028      6.76961844692700
  C   -0.11343830724054     -6.09073186607773      5.99171032435968
  C   0.55304772714288     -4.78087300986940      6.45765231067813
  C   -0.48880957063998     -3.80346041455243      7.02651517577773
  C   -1.83145621723180     -3.90063537703488      6.29781644686498
  H   -0.72421783558583     -2.34853984327351      0.88313348785981
  H   -0.84970329686044     -0.79501063242654      1.66891246312422
  H   -0.17359681155135     -3.42606736370143      3.09511861733225
  H   -0.28026586020628     -1.86150693960430      3.88805842143947
  H   1.59215283334788     -2.32847626157632      1.50142194324726
  H   1.61324349586281     -0.97605327748004      2.63648675946723
  H   2.23223144999007     -2.64774332757989      4.49127558885158
  H   3.45849809683969     -2.44276440805077      3.20353755022541
  H   -4.03330633975153     -1.40967758651410      3.43281410069647
  H   -2.43042780901388     -1.36312045701763      4.15203988144886
  H   -1.88750216220207      0.65403288328860      2.70077615387805
  H   -3.31169196105297      0.90931252283001      3.70640109952199
  H   -3.68605694274510      1.66580255878852      1.31829919291187
  H   -4.81839281167459      0.40166269970952      1.82523667149360
  H   -2.29654635592427      0.00072120464921      0.12207849483517
  H   -3.96426946915795     -0.13972340364744     -0.42988332528965
  H   -2.96538677685253     -2.37667024491766     -0.01051688261107
  H   -4.36785221813900     -2.08840058573920      1.03325739198221
  H   -8.80930336899594     -5.30494202620484      4.81378780404356
  H   -7.83752331530389     -6.48410279000690      3.94121804614597
  H   -7.00939571157491     -4.91611473685449      6.44646669370728
  H   -5.84047458812508     -5.75061704597540      5.43195372436940
  H   -6.41539179275238     -7.19273756085757      7.28981508688581
  H   -7.02432021907966     -7.92523967861271      5.79611179662951
  H   -9.33631895508393     -7.11786332618609      6.32890913501916
  H   -8.71456826754955     -6.30937832788807      7.79627198330233
  H   -6.70029331871810     -3.08006083124513      5.18669371536360
  H   -8.37668172627523     -2.95680514270421      4.68706082918650
  H   -7.05223889577721     -0.94023061471636      3.99768145791734
  H   -5.99359092554550     -1.97272976008809      3.03128578819043
  H   -7.68693559306943     -0.97269809061368      1.54036250770650
  H   -8.99657788537706     -1.54099444518927      2.58785362799910
  H   -7.06711341397511     -3.29785096463282      0.97757578099179
  H   -8.79686954363256     -3.07908223387407      0.66885348246817
  H   -8.48594121553257     -5.21884671460650      1.88173982035165
  H   -9.31938393373051     -4.07429382471645      2.91666963951448
  H   -4.45421633045954     -4.70105586760943      7.02102957972127
  H   -4.05365628792185     -6.36523805520469      7.44777751604893
  H   -2.55467133809502     -5.52838190925081      9.29376605481854
  H   -2.92493004873931     -3.86234439015174      8.83084237698713
  H   -5.00524217061766     -5.93392524652031      9.74221292217347
  H   -5.34559203598919     -4.25718776530216      9.29250467486654
  H   -3.87511260859947     -3.45565243695786     11.17778580825697
  H   -5.27822040428442     -4.42252814624669     11.72583235033012
  H   -1.77252838826417     -7.35749677753442      6.66140819640772
  H   -1.20083891101806     -6.20876940220805      7.84424191333171
  H   -0.34631574868767     -6.02197086582726      4.91589673452365
  H   0.57708845670694     -6.93938881998684      6.10599148738742
  H   1.31314244736027     -4.99632431441232      7.22501918767783
  H   1.08557249665881     -4.32337940361544      5.61176520755069
  H   -0.11660971513144     -2.76889942992277      6.96097563831757
  H   -0.63914783394689     -4.00061892608823      8.09981369574161
  H   -2.51193967217349     -3.13695241156930      6.69248036128355
  H   -1.67659915891152     -3.65705132610195      5.23403463792264
  N   -4.41394667563369     -2.95665137086824      5.05737938671719
  N   -4.59343901160690     -2.15578035169190      5.86351022164934
