%nprocshared=4
%mem=7000MB
%chk=NiCOD2
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 opt freq=noraman nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

NiCOD2 from drawn

0 1
 Ni                 0.12946979    0.30207029   -0.00395430
 C                  0.22889508    1.07080935    2.14907634
 H                 -0.59657481    1.64133456    2.14840874
 C                  1.44211786    1.53153982    1.39686758
 H                  1.34028680    2.40931045    0.92873395
 C                  0.20724390   -1.95601801    0.35850187
 H                 -0.60532244   -2.24609904   -0.14705614
 C                  1.44530442   -1.52328380   -0.36947294
 H                  1.51720026   -1.50406420   -1.37015383
 C                 -2.02395266   -0.11038186   -0.65896652
 H                 -2.02411828   -1.11036116   -0.65253774
 C                 -2.03141731    0.66140479    0.62722543
 H                 -2.03678311    0.22529951    1.53093116
 C                  0.45839290    0.81868575   -2.20879083
 H                  0.92493052   -0.02161500   -2.49712623
 C                  1.18854448    1.80744370   -1.34900221
 H                  2.12593702    1.55074938   -1.11362338
 C                  2.75485485    0.72854996    1.33746331
 C                  0.24286022   -0.26386233    2.91722767
 C                  0.19583751   -1.95055421    1.89844994
 C                  2.61825880   -1.10347622    0.53581134
 C                 -1.55367227    2.36424885    0.22298715
 C                 -2.01599687    0.65187988   -1.99705985
 C                 -0.99342106    1.08405077   -2.64858355
 C                  0.08367050    2.95270273   -0.61231560
 H                  2.63883109   -1.79638109    1.35089392
 H                  3.51251820   -1.25666146   -0.03140504
 H                 -0.68587623   -2.47385182    2.20445727
 H                  1.03710625   -2.52971442    2.21741759
 H                  1.12693804   -0.27777490    3.51981612
 H                 -0.60032935   -0.26353379    3.57596225
 H                  3.46394403    1.29049101    0.76622361
 H                  3.13036617    0.62913757    2.33446302
 H                 -1.60101695    2.89559918    1.15052438
 H                 -2.33668840    2.73237166   -0.40651371
 H                  0.63821829    3.48625603    0.13112076
 H                 -0.18928537    3.65489702   -1.37213022
 H                 -1.10138736    2.14672726   -2.71152759
 H                 -1.08358467    0.70002586   -3.64321685
 H                 -2.17108796    0.23401009   -2.96980421
 H                 -2.18922026    1.70749674   -2.02086500

 Ni     0
S   1   1.00
      7.6200000              1.0000000
S   1   1.00
      2.2940000              1.0000000
S   1   1.00
      0.8760000              1.0000000
S   1   1.00
      0.1153000              1.0000000
S   1   1.00
      0.0396000              1.0000000
P   1   1.00
     23.6600000              1.0000000
P   1   1.00
      2.8930000              1.0000000
P   1   1.00
      0.9435000              1.0000000
P   1   1.00
      0.0840000              1.0000000
P   1   1.00
      0.0240000              1.0000000
D   3   1.00
     42.7200000              0.0372699
     11.7600000              0.1956103
      3.8170000              0.4561273
D   1   1.00
      1.1690000              1.0000000
D   1   1.00
      0.2836000              1.0000000
F   1   1.00
      3.1300000              1.0000000
****
C H 0
6-31G*
****

Ni     0
Ni-ECP     2     10
d-ul potential
  3
1    469.9324331            -10.0000000
2     85.4236411            -69.4084805
2     21.2674984            -12.0951020
s-ul potential
  4
0    162.1686097              3.0000000
1    176.5333232             22.0253618
2     68.9562010            443.0181088
2     13.5792838            145.5696411
p-ul potential
  4
0     69.0181506              5.0000000
1    275.5955596              4.9882824
2     47.1315453            256.6945853
2     12.9874075             78.4754450




