%nproc=8
%Mem=8000MB
%Chk=NiP3_PhCl_ts
#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                -1.23252900   -0.77061800    0.35454000
 P                 -0.39112000    0.25867200   -1.43565400
 P                 -0.57644300   -2.90774000   -0.00475400
 P                 -3.53626200   -0.93447600   -0.04528100
 C                 -0.81171000    0.42225500    1.71381400
 C                 -1.47089600   -0.49380800    2.58062200
 C                  0.55292000    0.73837300    1.94636900
 C                 -0.72318600   -1.14949700    3.59695800
 H                 -2.55301100   -0.53409500    2.63065500
 C                  1.26169900    0.06361700    2.92740900
 H                  1.03966300    1.49203100    1.33877400
 C                  0.62776900   -0.89436600    3.75400900
 H                 -1.23898100   -1.82481500    4.27664800
 H                  2.32172700    0.27205600    3.05724500
 H                  1.19668800   -1.39906200    4.53075000
 C                 -4.40836400   -2.31869500    0.82307900
 H                 -4.25148300   -2.22510400    1.90338200
 H                 -5.48661400   -2.31816000    0.62057300
 H                 -3.98935900   -3.27825100    0.50106900
 C                 -4.60245000    0.50020800    0.41607500
 H                 -5.66013600    0.30174700    0.20174900
 H                 -4.48170900    0.71859000    1.48094100
 H                 -4.27450400    1.38717300   -0.13347500
 C                 -4.07187900   -1.23082000   -1.79378000
 H                 -3.79102500   -0.37525400   -2.41735300
 H                 -3.57117000   -2.12176200   -2.18684400
 H                 -5.15711700   -1.37395200   -1.86547700
 C                 -0.45636600   -0.72279600   -3.00113400
 H                 -0.18172500   -0.10704200   -3.86594400
 H                  0.23681900   -1.56759000   -2.93824900
 H                 -1.46779600   -1.11339400   -3.14716700
 C                 -1.32384400    1.77771300   -1.89879200
 H                 -2.35560200    1.50771900   -2.14761000
 H                 -1.35048500    2.44937300   -1.03562800
 H                 -0.87026200    2.28512000   -2.75914900
 C                  1.35451100    0.86194300   -1.46994700
 H                  2.03222800    0.06450200   -1.14802900
 H                  1.63497800    1.18886600   -2.47834700
 H                  1.46772400    1.70860800   -0.78692800
 C                  1.22930100   -3.12577900   -0.32556500
 H                  1.78745700   -2.62066700    0.47013300
 H                  1.51269400   -4.18510800   -0.35009000
 H                  1.50186100   -2.66394300   -1.28037900
 C                 -1.33708900   -3.94376900   -1.33217700
 H                 -1.17889600   -3.48393000   -2.31216400
 H                 -0.90711400   -4.95260700   -1.34034200
 H                 -2.41506200   -4.02274200   -1.15721600
 C                 -0.81284400   -3.98595000    1.47473700
 H                 -0.23132700   -3.58125500    2.30809600
 H                 -1.86824100   -3.98399200    1.76514200
 H                 -0.49325500   -5.01532000    1.27318800
 Cl                -1.92004300    2.54502000    1.66250700

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        

