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

Title Card Required

0 1
 C                 -1.34659200    0.78197300   -0.14782700
 C                  0.58630800    2.00930300   -0.06893800
 C                 -0.44862800    2.88994400   -0.07865000
 H                  1.65499400    2.16087100   -0.03928000
 H                 -0.47170400    3.96931300   -0.05473300
 N                 -1.61042600    2.12686700   -0.13004000
 N                  0.02251600    0.73719100   -0.11003700
 C                 -2.94544800    2.66118300   -0.11823800
 C                 -3.58575900    2.83623000    1.12410200
 C                 -3.56748300    2.95547100   -1.34730000
 C                 -4.89183500    3.34705200    1.11337300
 C                 -4.87505900    3.45981900   -1.30610300
 C                 -5.52911600    3.65973000   -0.08860800
 H                 -5.42029800    3.48623700    2.05257000
 H                 -5.39200700    3.68535700   -2.23479800
 H                 -6.54446200    4.04934000   -0.07752600
 C                  0.77786200   -0.48550700   -0.07391100
 C                  1.00031100   -1.10021100    1.17376100
 C                  1.25232800   -1.02228400   -1.28551900
 C                  1.71738100   -2.30517500    1.18141800
 C                  1.97429400   -2.22291400   -1.22423300
 C                  2.20283900   -2.85983400   -0.00377200
 H                  1.89170400   -2.81930200    2.12273800
 H                  2.34597700   -2.67181500   -2.14139700
 H                  2.75318600   -3.79722800    0.02326100
 C                 -2.88725900    2.66622800   -2.67978300
 H                 -1.83234800    2.45245700   -2.48351100
 C                 -2.92717800    2.41921400    2.43322600
 H                 -1.88289900    2.16775700    2.22582000
 C                  0.46447600   -0.51193800    2.47428500
 H                  0.07013200    0.48645000    2.26198900
 C                  0.95418300   -0.36928400   -2.62959400
 H                  0.47902300    0.59786200   -2.44128300
 C                 -2.94081800    3.86123100   -3.64651200
 H                 -3.96864400    4.09611100   -3.94869100
 H                 -2.50740100    4.76110200   -3.19215000
 H                 -2.37175200    3.63318400   -4.55661900
 C                 -3.50147200    1.40294500   -3.31537100
 H                 -3.43754500    0.55301000   -2.62325800
 H                 -4.55849000    1.56479200   -3.56352000
 H                 -2.96891000    1.13727100   -4.23765100
 C                 -0.04745200   -1.22309100   -3.43013900
 H                  0.37292300   -2.20983000   -3.66310100
 H                 -0.97273100   -1.37059100   -2.86311700
 H                 -0.30059000   -0.72772300   -4.37639800
 C                  2.23328700   -0.10399600   -3.44220200
 H                  2.94399700    0.51102000   -2.87601000
 H                  2.73772400   -1.03796500   -3.71847300
 H                  1.98717600    0.42840100   -4.36968600
 C                  1.56910900   -0.35002700    3.53375100
 H                  1.96498100   -1.31935600    3.86075100
 H                  2.40631800    0.24536300    3.14844100
 H                  1.16743700    0.16021500    4.41837100
 C                 -0.70434600   -1.35694100    3.01487400
 H                 -1.52256900   -1.39552500    2.28555700
 H                 -0.38217600   -2.38381100    3.22925700
 H                 -1.09255300   -0.92022600    3.94369300
 C                 -2.92915700    3.54628000    3.47978400
 H                 -2.43586200    4.44716300    3.09392700
 H                 -3.94765100    3.81968000    3.78114000
 H                 -2.39157100    3.22283800    4.38009800
 C                 -3.60241000    1.14688700    2.98083100
 H                 -4.65486800    1.33549200    3.22844000
 H                 -3.56620400    0.33653700    2.24023500
 H                 -3.09241400    0.80294200    3.88901000
 Ni                -2.65709500   -0.61261400   -0.12424300
 C                 -2.79070500   -2.43722900   -0.82021900
 H                 -2.81257400   -2.39852000   -1.91533600
 C                 -3.97225500   -2.09794600   -0.11960500
 H                 -4.88353400   -1.83970900   -0.66697500
 H                 -4.14391600   -2.49339100    0.88692200
 C                 -1.71093200   -3.33990100   -0.26305600
 H                 -0.72563100   -2.93318600   -0.52333700
 H                 -1.76400600   -3.34350000    0.83328900
 C                 -1.79159500   -4.78802100   -0.78302600
 H                 -2.75697800   -5.22776100   -0.49087600
 H                 -1.77303100   -4.77786900   -1.88366300
 C                 -0.64422200   -5.66488600   -0.26520900
 H                  0.31329800   -5.21707700   -0.56968900
 H                 -0.64981600   -5.65516400    0.83582900
 C                 -0.70406000   -7.11556800   -0.75868200
 H                 -0.71224600   -7.12504000   -1.85975100
 H                 -1.65384700   -7.57116500   -0.43868900
 C                  0.46336900   -7.97610600   -0.25741600
 H                  1.41109100   -7.52266200   -0.58382500
 H                  0.47635200   -7.96200700    0.84266300
 C                  0.39635400   -9.42652200   -0.74818100
 H                  0.40980700   -9.47343300   -1.84568400
 H                  1.24548500  -10.01611800   -0.37848000
 H                 -0.52515200   -9.91702300   -0.40621500

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   




