%nproc=8
%Mem=8000MB
%Chk=NiP3_PhI_2_ts
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3  nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full IOp(1/8=3)

opt freq

0 1
 Ni                -1.26352300   -0.67705500    0.33125100
 P                 -0.49319800    0.41808800   -1.42936700
 P                 -0.41738100   -2.74270800    0.27411300
 P                 -3.49025200   -0.79489900    0.14889000
 C                 -0.65193400    0.70142700    1.96673200
 C                 -1.44280400   -0.15226100    2.78351300
 C                  0.76455700    0.57089800    2.01407500
 C                 -0.81404600   -1.07608100    3.64661800
 H                 -2.50809500    0.02041900    2.87226800
 C                  1.35688900   -0.36446700    2.85298600
 H                  1.38125500    1.22873700    1.41348500
 C                  0.56977200   -1.17748700    3.69272200
 H                 -1.43435600   -1.69412000    4.29126800
 H                  2.44054500   -0.45291000    2.86681500
 H                  1.04588300   -1.88149200    4.37002200
 C                 -4.43865900   -1.96586900    1.23595600
 H                 -4.31304200   -1.67468600    2.28504300
 H                 -5.51070500   -1.97991700    0.99986300
 H                 -4.03589600   -2.97832000    1.11966400
 C                 -4.54746000    0.71984700    0.33490200
 H                 -5.60646200    0.50636100    0.13942400
 H                 -4.44758600    1.11844200    1.35027900
 H                 -4.20313300    1.49133800   -0.36135800
 C                 -4.06207600   -1.38003700   -1.51751400
 H                 -3.70690700   -0.68802900   -2.28820500
 H                 -3.63435300   -2.36624300   -1.72690300
 H                 -5.15599500   -1.44553600   -1.57852200
 C                 -0.18287300   -0.62635100   -2.93197200
 H                  0.13413800   -0.01920600   -3.78923600
 H                  0.59726400   -1.36402300   -2.71690300
 H                 -1.10040600   -1.16182500   -3.19925200
 C                 -1.58838100    1.71337300   -2.18706200
 H                 -2.55781100    1.27341800   -2.44323800
 H                 -1.75879000    2.51696500   -1.46436800
 H                 -1.14356200    2.13929900   -3.09562600
 C                  1.09624500    1.37259300   -1.36594500
 H                  1.90829200    0.72148800   -1.02563200
 H                  1.35648000    1.78629800   -2.34827400
 H                  0.99469600    2.19959900   -0.65545400
 C                  1.42129200   -2.93150200    0.09305000
 H                  1.91791200   -2.44999900    0.94211600
 H                  1.73015900   -3.98388700    0.04594600
 H                  1.74838300   -2.42319200   -0.82104000
 C                 -0.99030400   -3.81227700   -1.13325200
 H                 -0.83202400   -3.30318100   -2.08842200
 H                 -0.45848700   -4.77210500   -1.15143100
 H                 -2.06261600   -4.00945300   -1.02725500
 C                 -0.71949500   -3.92544100    1.67324900
 H                 -0.23214600   -3.55839400    2.58014700
 H                 -1.79584300   -3.98654700    1.86866400
 H                 -0.33746200   -4.92819900    1.44302300
 I                 -1.40252700    2.78389900    1.68028700

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


