%nproc=8
%Mem=8000MB
%Chk=H_4a-I
#p SCRF(SMD,Solvent=Toluene) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

opt freq

0 1
Ni                 2.49049200    7.76494000   11.86972100
 P                  1.46795900    9.29256500   10.69778800
 C                  1.23004600   10.98173200   11.44135700
 C                 -0.26941500    8.98593600   10.10796100
 C                  2.26339900    9.77627500    9.08974300
 H                  0.71601800   11.67288700   10.76046300
 H                  2.20467600   11.40681300   11.70368600
 H                 -0.65036100    9.79746700    9.47359200
 H                 -0.93252400    8.87671300   10.97421500
 H                  2.24374600    8.92718800    8.39963000
 H                  3.31173000   10.03838600    9.26806600
 P                  4.03338300    8.70826300   13.10119900
 P                  3.06058600    6.00247100   10.71197300
 C                  5.09107700    9.95087300   12.20812800
 C                  5.38654800    7.74459800   13.94588800
 C                  3.47063200    9.73357100   14.54534400
 C                  3.17482300    6.18102000    8.86327100
 C                  4.72276900    5.21689300   11.01566600
 C                  1.98720300    4.48897900   10.81096500
 H                  5.85312900   10.39602800   12.86130700
 H                  4.46386700   10.75333700   11.80533800
 H                  6.10153700    8.40062200   14.46018000
 H                  5.92868200    7.14340300   13.20744600
 H                  2.95672900    9.08490900   15.26386500
 H                  2.74859000   10.48094100   14.19931400
 H                  3.88197400    6.98150100    8.61922200
 H                  2.19394100    6.45953900    8.46356800
 H                  5.50704200    5.96923500   10.87452100
 H                  4.91693700    4.37303300   10.34013400
 H                  1.94903500    4.13711200   11.84752800
 H                  2.35241600    3.67435300   10.17203500
 H                  0.64554800   10.89092200   12.36357700
 H                 -0.30258100    8.04654900    9.54503100
 H                  1.75577600   10.62692100    8.61665300
 H                  3.50436100    5.25456000    8.37465100
 H                  4.78181200    4.85623200   12.04789700
 H                  0.96640800    4.74911200   10.51028600
 H                  4.29982300   10.24140200   15.05539300
 H                  5.58894700    9.45884100   11.36488800
 H                  4.94959700    7.06209400   14.68234200
 I                  0.59453300    6.98089800   13.52685400
 C                  1.45960400    5.42557000   14.72272300
 C                  2.79055200    5.09202400   14.47767900
 C                  0.71528100    4.76832200   15.70376700
 C                  3.39016200    4.07971400   15.23186900
 H                  3.33811700    5.62536400   13.70451000
 C                  1.32683100    3.75690800   16.45108800
 H                 -0.32175800    5.03495800   15.88610100
 C                  2.66091900    3.41105300   16.21827100
 H                  4.42855300    3.81632700   15.04511600
 H                  0.75494300    3.23962200   17.21731800
 H                  3.12889900    2.62401500   16.80328400

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        
****
I     0
S   2   1.00
      0.7242000             -2.9731048
      0.4653000              3.4827643
S   1   1.00
      0.1336000              1.0000000
P   2   1.00
      1.2900000             -0.2092377
      0.3180000              1.1035347
P   1   1.00
      0.1053000              1.0000000
P   1   1.00
      0.0308000              1.0000000
D   1   1.00
      0.2940000              1.0000000
****
P C H 0
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        
I     0
I-ECP     3     46
f-ul potential
  5
0      1.0715702             -0.0747621
1     44.1936028            -30.0811224
2     12.9367609            -75.3722721
2      3.1956412            -22.0563758
2      0.8589806             -1.6979585
s-ul potential
  5
0    127.9202670              2.9380036
1     78.6211465             41.2471267
2     36.5146237            287.8680095
2      9.9065681            114.3758506
2      1.9420086             37.6547714
p-ul potential
  5
0     13.0035304              2.2222630
1     76.0331404             39.4090831
2     24.1961684            177.4075002
2      6.4053433             77.9889462
2      1.5851786             25.7547641
d-ul potential
  5
0     40.4278108              7.0524360
1     28.9084375             33.3041635
2     15.6268936            186.9453875
2      4.1442856             71.9688361
2      0.9377235              9.3630657


