97
 energy: -159.441096430869 gnorm: 0.002040215125 xtb: 6.7.0 (08769fc)
C            1.63087054467164       -1.60361993947594       -0.05515291227722
C            1.04845098205660       -2.82317398879801       -0.06138560257989
C           -0.19836435970085       -2.89037146428040       -0.76611108423107
C           -0.71475406416463       -1.75085342792761       -1.37039443349260
C           -0.08553668918149       -0.48939403499626       -1.34570407131778
C            1.09894708481747       -0.44607799364087       -0.67452889767825
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C            2.97863832989857        1.48111940550731       -0.15976423400386
C            4.19179487972534        1.46167059406391        0.52546017817559
C            4.69297064595650        0.29848008435290        1.13129320180029
C            5.92460156358945        0.27410886420866        1.82796798545910
C            6.37920776499224       -0.88465800885846        2.39401708689309
C            5.63488369936162       -2.07522137371775        2.29428009521205
C            4.43263913217914       -2.10431545873935        1.63474946608153
C            3.94434309430768       -0.92779213460805        1.04940764479556
N            2.78469856988625       -0.83656113270865        0.38461610436615
H            1.48818346440997       -3.68486283704356        0.41906792989405
H           -1.65026777125696       -4.45482435253158       -2.00202905727638
H           -1.64824742933665       -1.82049924734242       -1.90521082675540
H           -0.53149810498020        0.35753380851391       -1.84009252896003
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H            4.77432892738052        2.36895805041508        0.59534665667770
H            6.49677900308356        1.18578147381227        1.90209658867299
H            7.31880048165644       -0.89637272354454        2.92333051971096
H            6.02144087556169       -2.97573101840061        2.74563652727652
H            3.85826964108918       -3.01393817213856        1.55518924018079
C           -8.51785161287584       10.34835885339988        1.19919664864695
C           -9.38108360584546       11.32814102526099        1.45357404732995
C           -8.79558192442840       12.59839221499114        1.27839439856364
C           -7.47060137503422       12.68571171273876        0.88598848193532
C           -6.71325316844038       11.56123238268116        0.66318061995890
C           -7.24193719031898       10.25220295542009        0.82152263112452
C           -6.39508009866950        9.09004853550083        0.56993866856160
C           -6.93920218944660        7.79513432238966        0.72923720373969
C           -6.12838350009746        6.72262074272072        0.48513970882723
C           -4.78983771648936        6.91903331213533        0.08620976906989
C           -3.89086042860836        5.87124175860602       -0.18764816065764
C           -2.60703092994210        6.14595130602069       -0.57274664335888
C           -2.16317686288641        7.47351495774064       -0.70041542845062
C           -3.00546989782529        8.51884063768551       -0.44257839249583
C           -4.33481580249942        8.26788670864095       -0.04520734899568
N           -5.16104816896998        9.28784187637049        0.20422832792895
H          -10.40798200429616       11.21827045349990        1.75732095755128
H           -9.40640730519513       13.47012164542203        1.45755336420862
H           -7.02164198799970       13.65984955607729        0.75131298381547
H           -5.67266104203686       11.56437999959988        0.35412950575060
H           -7.97041933760847        7.69410905365883        1.03541765103393
H           -6.50424791358521        5.71545448921315        0.59383490361228
H           -4.23556840417282        4.85223398365831       -0.08978558145686
H           -1.92177628024045        5.33921035498925       -0.78484586720648
H           -1.14622203494432        7.66282757157461       -1.00731806156059
H           -2.68141943033820        9.54269898761649       -0.53682822946293
C           -5.55867710460998       -2.22968538300637       -0.98378861353188
C           -6.36536350195024       -2.14781719163012        0.15480057937073
C           -5.97127728460485       -2.71236934974724        1.35025152652055
C           -4.74613973540994       -3.36271901806871        1.38719314744107
S           -4.00767825786028       -4.19045015489312        2.73077019354303
C           -2.68993393127222       -4.59904119441904        1.70631147768278
C           -1.48013985343763       -5.32067639227074        2.07081253150337
C           -0.70416335634053       -5.08730247106705        3.20183959889096
C            0.60429408316649       -5.56431186871853        3.19647070112543
N            1.19561857283883       -6.00256023482671        2.10029136731546
C            0.46053956838119       -6.24919615245997        1.02612608039474
C            1.10056053427136       -6.46834544734671       -0.28428442395426
C            2.19809809442664       -7.27745077845676       -0.46328855866700
C            2.74602039371846       -7.42134461077863       -1.74764132721487
C            3.87413907422615       -8.28251995501264       -1.94001696284804
N            4.46516792547996       -8.89762074922762       -0.96860837341821
C            5.49757667197861       -9.65389847665756       -1.38728983137171
C            6.32882921418368      -10.43356557646167       -0.57444514266928
C            7.34534566843856      -11.14851835098205       -1.16336807004188
C            7.55341249446705      -11.10836700995069       -2.54652902076851
C            6.74826773583991      -10.35063053343151       -3.37386582038527
C            5.72181630426806       -9.62181276648765       -2.79236841262180
S            4.56410671686070       -8.58702975061441       -3.54772343742014
C            2.14255245687478       -6.69796348696104       -2.78641326803622
C            1.06848950218165       -5.87874016651733       -2.51837871014525
N            0.53994593617712       -5.75293605709115       -1.29509793600117
C           -0.93251570993505       -6.10484238504321        1.03821585486909
N           -2.76066811862767       -4.14071353593888        0.46560053554544
C           -3.92166020633191       -3.44740198061917        0.24779171174431
C           -4.34147818208037       -2.87166730638449       -0.95243166631385
H           -5.90528019204002       -1.79113881074111       -1.90581685252730
H           -7.31836127322592       -1.64664181394338        0.09662122170642
H           -6.59574886895773       -2.66213895854432        2.22783228900873
H           -1.08705122703788       -4.51106127675545        4.02827445176152
H            1.23425310885643       -5.48677646920669        4.06962998775396
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H            8.35886519540602      -11.68271743831389       -2.97631287888932
H            6.90862708247977      -10.32354146040848       -4.43969222826052
H            2.51859958091037       -6.77477206488569       -3.79390987521428
H            0.60492178424975       -5.29388633180583       -3.29949350881416
H           -1.57783418870198       -6.63261959049978        0.32522029557371
H           -3.71920947022758       -2.96952554178224       -1.82705127104584
Ir          -1.07535265883745       -4.71256090994771       -0.62518583150076
