%nproc=8
%Mem=8000MB
%Chk=NiP3_PhI_3_prod
#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                -1.34730500   -1.28806300   -0.05416300
 P                  0.13800300   -0.01722600   -1.18121900
 P                 -0.74326100   -3.31385500   -0.98594800
 P                 -3.38744800   -1.83341900    0.77960900
 C                 -1.40212600    0.17175600    1.21355600
 C                 -0.58311700   -0.07766000    2.33232500
 C                 -2.13038100    1.37032500    1.19689000
 C                 -0.50799000    0.82572200    3.39705100
 H                  0.00752700   -0.99297300    2.37673000
 C                 -2.06431700    2.27712000    2.26125200
 H                 -2.74733200    1.61728900    0.33740200
 C                 -1.25519200    2.00708100    3.36738700
 H                  0.13665000    0.60906500    4.24593900
 H                 -2.63841100    3.20024500    2.22009900
 H                 -1.19802000    2.71332300    4.19147700
 C                 -4.17399900   -3.48258900    0.51731200
 H                 -3.71755800   -4.23001100    1.17070400
 H                 -5.24152000   -3.41777800    0.75658500
 H                 -4.06660900   -3.79909400   -0.52460100
 C                 -3.72250400   -1.55861500    2.56705800
 H                 -4.76834600   -1.79599500    2.79056600
 H                 -3.07293400   -2.20615600    3.16517000
 H                 -3.51828600   -0.51916300    2.83195000
 C                 -4.60170000   -0.74448700   -0.07742700
 H                 -4.38939900    0.30462700    0.13486500
 H                 -4.53288800   -0.90699700   -1.15836500
 H                 -5.61960200   -0.97687200    0.25492300
 C                  0.30723400   -0.41278500   -2.97778100
 H                  1.02730700    0.27255900   -3.43854000
 H                  0.63944700   -1.43776400   -3.14998800
 H                 -0.66661300   -0.27684800   -3.46050400
 C                 -0.19920200    1.78606700   -1.29012400
 H                 -1.20804000    1.95713700   -1.67873500
 H                 -0.10791900    2.25107200   -0.30809300
 H                  0.52949200    2.24314900   -1.96761500
 C                  1.84127500   -0.06956900   -0.50175200
 H                  2.21464300   -1.09595100   -0.47971500
 H                  2.51211800    0.55459800   -1.10033800
 H                  1.81716600    0.32185100    0.51907200
 C                  1.07512900   -3.57170300   -1.19335200
 H                  1.56618100   -3.46228800   -0.22087100
 H                  1.25544700   -4.58580200   -1.56707500
 H                  1.51918100   -2.86034200   -1.89179100
 C                 -1.42120800   -3.78217700   -2.63240800
 H                 -1.10520100   -3.05097000   -3.38243100
 H                 -1.07147600   -4.77688400   -2.93058100
 H                 -2.51570500   -3.78386200   -2.59297000
 C                 -1.12546400   -4.79071300    0.05803300
 H                 -0.96087900   -4.55301400    1.11387900
 H                 -2.15987700   -5.10749500   -0.07955400
 H                 -0.47011100   -5.62201600   -0.22415700
 I                  2.81328000    3.68537600    0.96125000

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


