%nprocshared=24
%mem=41GB
#p b3lyp opt freq genecp empiricaldispersion=gd3 nosymm scf=(maxcyc=512,xqc) int(grid=fine)

Opt freq

0 3
 N                 -1.39360269    1.66016171   -0.54670796
 N                  1.41149507    1.22000341   -0.31607832
 N                  0.95495420   -1.62757053   -0.32855758
 N                 -1.86413232   -1.18148758   -0.41250031
 C                 -2.74665484    1.65707755   -0.76519907
 C                 -3.19601448    2.95985685   -1.16107937
 C                 -2.08618616    3.77860118   -1.15195714
 C                 -0.97804305    2.96818498   -0.75300686
 C                  0.34188554    3.43657017   -0.56354313
 C                  1.43583567    2.61025360   -0.32673352
 C                  2.77916661    3.07755942   -0.05894622
 C                  3.56576791    1.97525685    0.07520130
 C                  2.70834931    0.82150464   -0.12958392
 C                  3.14788032   -0.50580361   -0.09479418
 C                  2.32406647   -1.63861960   -0.33558677
 C                  2.81647937   -2.97577018   -0.50927613
 C                  1.71258552   -3.79788979   -0.57213030
 C                  0.56280694   -2.95292885   -0.46181132
 C                 -0.77373867   -3.40427794   -0.40975989
 C                 -1.88698541   -2.57137339   -0.36488561
 C                 -3.25601882   -3.03636786   -0.32849162
 C                 -4.05371423   -1.93324319   -0.35158917
 C                 -3.17230520   -0.78439357   -0.45297182
 C                 -3.60542844    0.54425645   -0.55096240
 H                 -4.20927528    3.21326101   -1.44715009
 H                 -2.03235956    4.82251216   -1.42770186
 H                  3.08069015    4.11331603    0.00876711
 H                  4.63112824    1.94306506    0.26118814
 H                  3.85849900   -3.25444659   -0.60558549
 H                  1.69892507   -4.87066817   -0.70351125
 H                 -3.56337421   -4.07261122   -0.31103290
 H                 -5.13514523   -1.89957461   -0.35700883
 Fe                -0.24095454    0.02962677   -0.08993515
 C                 -5.03042777    0.85215293   -0.29782073
 C                 -5.51654429    1.49271112    0.87043593
 C                 -5.98856546    0.55272938   -1.28901345
 C                 -6.84427229    1.93400334    0.94699480
 C                 -7.32039194    0.93423117   -1.19235842
 H                 -5.62592941    0.03864135   -2.17345260
 C                 -7.74559367    1.66101944   -0.07789914
 H                 -7.20704786    2.49690498    1.79808801
 H                 -8.01415349    0.70224844   -1.99547958
 H                 -8.76960762    2.01271852    0.00282587
 C                  4.53877884   -0.78141868    0.33238593
 C                  5.59174003   -0.53251832   -0.57292702
 C                  4.90401398   -1.34554400    1.57871421
 C                  6.90821447   -0.89406118   -0.31898948
 H                  5.31919394   -0.07435144   -1.51828071
 C                  6.21888956   -1.77056616    1.81532879
 C                  7.21932573   -1.55083679    0.87360251
 H                  7.67949228   -0.70227816   -1.05946611
 H                  6.49277397   -2.28228398    2.73024831
 H                  8.23044782   -1.88914797    1.07846411
 C                  0.56521051    4.90941251   -0.63037445
 C                  1.43102117    5.46479423   -1.58426727
 C                 -0.08823672    5.77998212    0.25746160
 C                  1.65472299    6.84412419   -1.65612756
 H                  1.93743511    4.79957020   -2.27825943
 C                  0.12702857    7.15655148    0.19654748
 H                 -0.76560511    5.36052499    0.99545376
 C                  0.99805926    7.69035821   -0.75402706
 H                 -0.38101512    7.81631234    0.89565104
 H                  1.17234005    8.76289402   -0.79786101
 C                 -1.00134768   -4.88097090   -0.40678652
 C                 -1.51456749   -5.52940854    0.72685873
 C                 -0.70349329   -5.65421525   -1.53770657
 C                 -1.72551844   -6.90932800    0.72448341
 H                 -1.75166918   -4.93723401    1.60614999
 C                 -0.90626691   -7.03828953   -1.55088652
 H                 -0.30214189   -5.15932723   -2.41811556
 C                 -1.41903640   -7.66448419   -0.40710977
 H                 -2.12607148   -7.39780050    1.60937505
 H                 -1.57360144   -8.74094087   -0.40738356
 C                 -5.43284758    1.58880114    3.36114123
 H                 -6.21923655    2.33536764    3.43671496
 H                 -5.86200646    0.58654423    3.35599429
 H                 -4.75350634    1.70752099    4.20534270
 C                 -4.12658605    3.19779871    2.03536718
 H                 -3.56213899    3.32588968    1.10929912
 H                 -4.98672375    3.86915979    2.04569437
 H                 -3.49179522    3.37210575    2.90727734
 C                 -3.43089426    0.84460080    2.24168058
 H                 -3.76022263   -0.18406738    2.10646914
 H                 -2.66855042    1.09001339    1.51230549
 H                 -3.03051425    0.99998606    3.24428186
 C                  2.64494305   -0.71102180    2.66934280
 H                  2.91873570    0.32581866    2.48492007
 H                  1.98551431   -1.06489017    1.88547371
 H                  2.14949840   -0.81344160    3.63533523
 C                  4.56873335   -1.19082561    4.03836408
 H                  5.39616773   -1.85927053    4.26050511
 H                  4.92361985   -0.16249278    3.96549032
 H                  3.82098636   -1.27963947    4.82676041
 C                  3.49731103   -3.01453938    2.76967413
 H                  3.01888270   -3.25921628    1.81814537
 H                  4.38855853   -3.62696054    2.91327953
 H                  2.80162249   -3.15043333    3.60101143
 N                 -4.63504378    1.77314571    2.09068737
 N                  3.91393895   -1.56039777    2.72663685
 C                 -0.54770947   -7.84695177   -2.77066402
 H                 -1.22530670   -8.69711889   -2.89193538
 H                 -0.58871590   -7.23053671   -3.67258319
 S                  1.18635697   -8.49769369   -2.57611320
 H                  1.25463204   -9.13533548   -3.76753687
 C                  2.61465193    7.40553170   -2.67292873
 H                  2.68506988    6.75090493   -3.54569409
 H                  2.30136643    8.40065721   -3.00162859
 S                  4.30330553    7.54417757   -1.89973629
 H                  4.93971971    8.03382509   -2.98879331
 C                 -0.30047172    0.15303238    1.75643065
 O                 -0.28003476    0.38892899    2.90982160

-C -H -N -S -O 0
6-31G(d)
****
Fe 0
LanL2DZ
****

Fe
LanL2DZ


