98
Coordinates from ORCA-job orca
  N   -3.25559484826490      2.96140417069890      4.42192061349484
  Mo  -4.18132151745929      3.92893962333269      5.89241507499790
  N   -4.62057777353429      2.77761383703145      7.43323523044467
  C   -3.62546486232790      2.63412513979614      8.49377623081506
  C   -2.25048257056303      2.59267520257723      7.83616447931858
  N   -2.16410480087007      3.70222617485565      6.84815920037061
  C   -1.23146271008627      3.40119213522994      5.72970075032752
  C   -1.90544110859879      2.47336732444907      4.72857487470745
  C   -1.85149867345883      4.99218704920377      7.52086523290015
  C   -2.36289773587968      6.14687955834630      6.67834278129935
  N   -3.69600980429931      5.82471274462767      6.17309051922629
  H   -1.28590434893615      2.44183464816045      3.81291594375573
  H   -1.92472804661601      1.43738371019906      5.12183338787867
  H   -1.00226114819935      4.35587017846869      5.23563311486313
  H   -0.28808069868807      2.97401350282970      6.11192148498831
  H   -2.39679374945326      7.05916020714506      7.30198355722328
  H   -1.65966441401580      6.36678649531809      5.85108704441677
  H   -2.38065634333935      4.98763183794755      8.48310719474065
  H   -0.76937734282478      5.07267703630323      7.72192428944284
  H   -3.78830906794494      1.69915836836430      9.05629926444115
  H   -3.68379593679438      3.45857169669832      9.22785041581344
  H   -2.14967691663210      1.64822247137217      7.28459176154631
  H   -1.42589502994750      2.66217043287625      8.56688546357022
  C   -3.75696511479383      2.47598316729087      3.14350912684675
  C   -4.25330667276550      1.01725372657622      3.15752821914433
  C   -5.70458214689566      0.85548674097510      3.68124813535414
  C   -6.71913296473897      1.07870833309916      2.60985367509811
  N   -7.32078162111248      2.27012712367698      2.51627096642203
  C   -8.23334105197723      2.56780840908338      1.53695247176913
  N   -8.60372843552057      1.72468694478818      0.61856480175014
  C   -8.04069177850931      0.47516366033084      0.65046388920089
  C   -8.43284894344491     -0.46832729324250     -0.32330372885035
  C   -7.87712296233386     -1.73230827947383     -0.31869253212547
  C   -6.91566524911894     -2.09894259769995      0.65208875763267
  C   -6.51425939667439     -1.19907620862972      1.61689205046836
  C   -7.06801627986604      0.10525954585768      1.63849660881747
  C   -4.44574632052144      6.99522560515505      5.71298636738105
  C   -3.80951923032556      7.77785318972107      4.55425133798218
  C   -3.54306627708410      6.94271926687639      3.30522302507752
  C   -4.76508284057422      6.48258434681660      2.55333052719414
  N   -5.95528087361910      6.91028327233767      2.94999118095530
  C   -7.04741605736505      6.43867268152968      2.29223896142214
  N   -7.07681423435878      5.58498460837358      1.28836782973189
  C   -5.85927622651398      5.15680119026469      0.82984398655020
  C   -5.80862094802569      4.25625326836633     -0.26259262534603
  C   -4.59008056348565      3.82163929996802     -0.74442321837023
  C   -3.38294196483362      4.27244630915842     -0.16183988162076
  C   -3.40634554138656      5.14413378944430      0.90855899404624
  C   -4.64136440851135      5.59705785213787      1.43352390264625
  C   -5.81762771837980      1.95322266194627      7.54353635437792
  C   -6.97371241085282      2.63260118007254      8.28315818526839
  C   -8.24364578792204      1.75474167122133      8.30764358278395
  C   -8.74624990796011      1.41631999946115      6.93069662122215
  N   -8.44147733745696      0.21057906253310      6.45499304540480
  C   -8.84222450518126     -0.08324583095978      5.19021351786224
  N   -9.50231451073125      0.68999776968229      4.34994944875040
  C   -9.84750160860259      1.92800475460943      4.82154136533900
  C   -10.57481980618569      2.80639097628555      3.98221595426833
  C   -10.92040801519629      4.06417262995453      4.43242226962116
  C   -10.56195978002928      4.48676234764346      5.73356080328648
  C   -9.86038148501436      3.64709121063722      6.57401578035419
  C   -9.48389494906216      2.35167417892821      6.13914111823965
  H   -2.95544257970883      2.55471336078889      2.38591472990947
  H   -4.56280384828905      3.14097108953204      2.80041792516438
  H   -3.59166269627239      0.41318075310939      3.79519039537544
  H   -4.18143640544629      0.59577483092558      2.14321038410369
  H   -5.84674520627733     -0.15448062126269      4.08799689520559
  H   -5.87327612718101      1.55993169066759      4.50632933321734
  H   -8.61726401954864      3.58894968750078      1.55505225820411
  H   -9.17704480624987     -0.16750348813374     -1.06091811316531
  H   -8.18274091835497     -2.46156303651500     -1.07029811347277
  H   -6.49288975800506     -3.10395740072773      0.63702363408186
  H   -5.77576200006712     -1.49060821790543      2.36314558610959
  H   -5.45038584335167      6.66998246794305      5.41874697630032
  H   -4.56637438115913      7.68753976345202      6.56917406802005
  H   -2.85877063852797      8.22580745732874      4.88155215503413
  H   -4.48395419992340      8.61168556060861      4.30950894752008
  H   -2.90721090352779      7.51172885382385      2.60505196990672
  H   -2.95353609494634      6.04769699151031      3.57289331553627
  H   -8.01112641244679      6.80620434255596      2.65798875474406
  H   -6.74902737666668      3.93918727656338     -0.71611189729826
  H   -4.55443083155107      3.13524632005796     -1.59211973336885
  H   -2.42910792685273      3.92928478380030     -0.56527788266467
  H   -2.47168085165159      5.48590129671124      1.35390368351879
  H   -5.56710777408336      0.99654706752192      8.03897201894589
  H   -6.16208708155057      1.68633118913545      6.53405552040063
  H   -6.67820319801054      2.85681426686132      9.31979767451355
  H   -7.18207185876177      3.59427694212137      7.78957252345073
  H   -8.02602127261977      0.80706391451831      8.82014442105750
  H   -9.02664878495845      2.27298644960920      8.88061167954531
  H   -8.57343442555362     -1.08310031508379      4.83224201943537
  H   -10.85879632011897      2.45278392624270      2.98982802943629
  H   -11.48366406934604      4.73847627792108      3.78518142140088
  H   -10.84796639579337      5.48288173883537      6.07372115117974
  H   -9.59612775838725      3.98226616198149      7.57723512553410
  N   -5.89758786227909      4.09266291292833      5.06193367271827
  N   -6.93557301902232      4.14577120436383      4.53471637241775
  H   -7.13860097783773      3.01758139007588      3.25255631143754
