%nproc=8
%Mem=24000MB
#p SCRF(SMD,Solvent=acetone) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC)

Title Card Required

0 1
 C                  0.33596700   -1.53864500   -1.37779300
 C                  1.26713500   -0.53859200   -1.59006400
 C                 -1.63022900    0.61975200   -1.44415100
 C                  1.21440800    0.50622200   -2.69735900
 C                 -0.68201200    1.62570800   -1.36479100
 C                  0.52048200    1.82049600   -2.26760600
 H                  0.64698400   -2.38079600   -0.76013600
 H                 -2.53916600    0.75779700   -0.86091200
 H                 -0.92916100    2.48876800   -0.74621900
 H                  2.23091800   -0.65303300   -1.09738100
 H                  2.23911200    0.74061800   -3.01265100
 H                  1.24499300    2.43314700   -1.71583500
 H                  0.24672000    2.40470300   -3.16313000
 C                 -0.95410500   -1.75729500   -2.14419800
 H                 -1.61058300   -2.36788200   -1.51116600
 C                 -1.70188000   -0.45597800   -2.52111900
 H                 -1.31603900   -0.05903800   -3.46564800
 H                 -2.75522200   -0.70165700   -2.70652400
 H                  0.71737800    0.08749500   -3.57844100
 H                 -0.76906900   -2.35398500   -3.05402000
 C                 -0.72700300   -1.41406800    1.46000900
 C                 -1.52273900   -0.29426700    1.63442100
 C                  1.49975200    0.47577100    1.46519900
 C                 -1.34045600    0.77177300    2.70718200
 C                  0.68847900    1.58893400    1.34689900
 C                 -0.47493200    1.96816100    2.24331900
 H                 -1.14950900   -2.23318900    0.87791100
 H                  2.41185400    0.46739100    0.87096400
 H                  1.03757600    2.38716800    0.69209000
 H                 -2.49925400   -0.30956100    1.15333500
 H                 -2.32749100    1.15042500    3.00160300
 H                 -1.11076500    2.65894800    1.67527000
 H                 -0.12098200    2.53305400    3.12271800
 C                  0.52731400   -1.77191600    2.23257900
 H                  1.10326400   -2.47193500    1.61375800
 C                  1.43040500   -0.56333500    2.57709200
 H                  1.09009700   -0.09187400    3.50448800
 H                  2.44370100   -0.93224100    2.78078900
 H                 -0.91106300    0.32243600    3.60866200
 H                  0.27447400   -2.31986300    3.15666900
 Ni                -0.10717000    0.06642300    0.01751100

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 -N -O
6-311++G**
****

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   







