%nproc=8
%Mem=8000MB
%Chk=NiP3_PhCl
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full IOp(1/8=4)

opt freq

0 1
 Ni                -1.28640400   -0.69503500    0.35771500
 P                 -0.55764000    0.32899600   -1.47456200
 P                 -0.50777400   -2.82674800    0.17771900
 P                 -3.51805700   -0.89376200   -0.00703100
 C                 -0.59406700    0.59627900    1.71104100
 C                 -1.46808300   -0.29594400    2.42879500
 C                  0.82382600    0.49428600    1.92764600
 C                 -0.88558700   -1.22766600    3.34910700
 H                 -2.50052900   -0.00528300    2.59762200
 C                  1.33934600   -0.46079600    2.77370600
 H                  1.48020600    1.19298300    1.41974500
 C                  0.47753300   -1.32584600    3.50738700
 H                 -1.55329400   -1.84916800    3.94226400
 H                  2.41711000   -0.54250900    2.89470400
 H                  0.90129100   -2.04571900    4.20318100
 C                 -4.39426100   -2.18248400    0.99880900
 H                 -4.19054800   -2.01476600    2.06215300
 H                 -5.47960400   -2.17420700    0.83612900
 H                 -4.00689900   -3.17230900    0.73347900
 C                 -4.58973400    0.57941500    0.33857500
 H                 -5.65117600    0.37241700    0.15119700
 H                 -4.46855900    0.88300100    1.38431300
 H                 -4.27264400    1.41668200   -0.29216300
 C                 -4.11504300   -1.35409600   -1.70184300
 H                 -3.80613000   -0.59276300   -2.42532900
 H                 -3.66347600   -2.30625500   -2.00062900
 H                 -5.20730700   -1.45302000   -1.73958200
 C                 -0.38227600   -0.68312600   -3.01665300
 H                 -0.11037900   -0.05955400   -3.87717700
 H                  0.39509300   -1.44142500   -2.87567300
 H                 -1.32670100   -1.19230800   -3.23415900
 C                 -1.61742900    1.71007600   -2.11218400
 H                 -2.62273900    1.33498700   -2.32888800
 H                 -1.69838200    2.48422700   -1.34377700
 H                 -1.20137300    2.15318800   -3.02585200
 C                  1.09127700    1.17148800   -1.44863400
 H                  1.86611300    0.45870500   -1.14705700
 H                  1.34733300    1.58498900   -2.43186900
 H                  1.06908700    1.98630300   -0.71878000
 C                  1.32816300   -3.04576800    0.01607000
 H                  1.81876000   -2.61397800    0.89500400
 H                  1.61836300   -4.10030900   -0.07723300
 H                  1.67976500   -2.50045700   -0.86744700
 C                 -1.08328200   -3.83137500   -1.27504100
 H                 -0.84809400   -3.32278300   -2.21350800
 H                 -0.61695100   -4.82479800   -1.28730600
 H                 -2.16998900   -3.95903800   -1.21972400
 C                 -0.86466500   -4.06014700    1.51877600
 H                 -0.37954400   -3.74882800    2.44675600
 H                 -1.94477700   -4.10023600    1.69824500
 H                 -0.50969300   -5.06201500    1.24598100
 Cl                -1.18004200    2.35007400    1.48821100

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        
****
P C H Cl 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        

