%nproc=24
%Mem=24000MB
%Chk=h_Ni_IPh_add_eta2_ts_2
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

opt freq

0 1
 Ni                -0.14490500    0.11140500    0.08611000
 P                  0.02944800   -0.36614700   -2.17758100
 C                 -1.39465200   -1.03523500   -3.17176500
 C                 -2.52690600   -0.22688700   -3.35940400
 H                 -2.53202200    0.78160300   -2.97240800
 C                 -3.64607700   -0.70173700   -4.04205400
 H                 -4.50529100   -0.04966200   -4.17537000
 C                 -3.66086300   -2.00620400   -4.54578800
 H                 -4.53455200   -2.38221400   -5.07192600
 C                 -2.53951100   -2.81899100   -4.37062000
 H                 -2.53469900   -3.83403500   -4.76021900
 C                 -1.41447900   -2.33723600   -3.69434400
 H                 -0.55931600   -2.99169000   -3.56869200
 C                  1.31662500   -1.61430600   -2.66574200
 C                  1.56642600   -2.67107400   -1.78039100
 H                  1.05511200   -2.68966800   -0.82479200
 C                  2.48072100   -3.67576700   -2.10772900
 H                  2.66322900   -4.48401600   -1.40516300
 C                  3.17699700   -3.62064900   -3.31647100
 H                  3.89981300   -4.39273600   -3.56721400
 C                  2.94502000   -2.56219700   -4.20148600
 H                  3.48670300   -2.51027400   -5.14265900
 C                  2.01367400   -1.57177400   -3.88465500
 H                  1.83730900   -0.76171400   -4.58530300
 P                 -1.20480000    2.22888300    0.23277800
 C                 -2.16678800    2.71576200    1.77750900
 C                 -1.68233500    3.72247700    2.63591400
 H                 -0.78013900    4.26687800    2.38532900
 C                 -2.33533200    4.04202000    3.82840000
 H                 -1.92912400    4.82558000    4.46317300
 C                 -3.50229500    3.37129200    4.19879400
 H                 -4.01687100    3.62539200    5.12161600
 C                 -3.99480700    2.36525400    3.36737900
 H                 -4.89409300    1.81887100    3.63959100
 C                 -3.32743100    2.03418400    2.18696600
 H                 -3.72657300    1.21328400    1.60786600
 C                 -0.14550600    3.75277600    0.08685700
 C                 -0.68894600    5.02422800   -0.17521800
 H                 -1.75778000    5.13611900   -0.32850000
 C                  0.13159800    6.14958400   -0.24035100
 H                 -0.30591900    7.12229900   -0.45003100
 C                  1.51077800    6.02973500   -0.03336300
 H                  2.14898400    6.90788700   -0.08764700
 C                  2.05849900    4.77755500    0.24592100
 H                  3.12668500    4.66324600    0.40810300
 C                  1.22987100    3.65408600    0.30690100
 H                  1.66152800    2.68773600    0.51770500
 P                  1.91455700    0.00775700    1.11200600
 C                  2.10253300    0.87485000    2.74900100
 C                  1.11595200    1.77135200    3.16628100
 H                  0.23684700    1.90409400    2.55245900
 C                  1.23361000    2.46765000    4.37178900
 H                  0.44377500    3.15028200    4.67307700
 C                  2.35069500    2.26852100    5.18361500
 H                  2.44666700    2.80393000    6.12478600
 C                  3.34775400    1.37177800    4.78144400
 H                  4.22171100    1.21020600    5.40738900
 C                  3.22503200    0.68165800    3.57566000
 H                  4.00886200   -0.00722800    3.27524200
 C                  3.35559100    0.75866200    0.18155900
 C                  4.11824100    1.83226000    0.67477900
 H                  3.91588800    2.24632600    1.65545200
 C                  5.13803800    2.40250100   -0.09252200
 H                  5.70580300    3.23620300    0.31306100
 C                  5.42938100    1.90852200   -1.36563100
 H                  6.22306900    2.35386600   -1.95958300
 C                  4.68368600    0.84044300   -1.86771000
 H                  4.88362800    0.44448500   -2.85995800
 C                  3.65563000    0.28430800   -1.10630000
 H                  3.07145100   -0.51784000   -1.53307600
 C                  2.62631600   -1.64948900    1.60742700
 C                  2.18822600   -2.23311400    2.81107900
 C                  3.54570100   -2.36561600    0.82772100
 C                  2.64057900   -3.49037100    3.21157500
 H                  1.48853100   -1.70078900    3.44622900
 C                  3.99934300   -3.62675800    1.22717000
 H                  3.92810900   -1.95029300   -0.09570000
 C                  3.54712000   -4.19804200    2.41705400
 H                  2.28403800   -3.91369100    4.14735000
 H                  4.71432700   -4.15656500    0.60271100
 H                  3.90200800   -5.17742600    2.72713000
 C                 -2.43095300    2.58603300   -1.13411400
 C                 -1.98067600    3.18800800   -2.32545400
 C                 -3.77716800    2.18803700   -1.07432900
 C                 -2.84684000    3.40652800   -3.39781600
 H                 -0.94582900    3.49002200   -2.42692100
 C                 -4.64549300    2.40936600   -2.14656200
 H                 -4.17342400    1.70313200   -0.19336700
 C                 -4.18714600    3.02279200   -3.31397200
 H                 -2.46351000    3.87146900   -4.30209700
 H                 -5.68318300    2.09622400   -2.06431800
 H                 -4.86262700    3.19338700   -4.14789900
 C                  0.51711600    1.09461300   -3.21514500
 C                  1.32662600    2.06259500   -2.60656000
 C                  0.12335700    1.29298700   -4.54863500
 C                  1.73281000    3.20460900   -3.29756300
 H                  1.61601400    1.92625200   -1.57483100
 C                  0.51923300    2.43980200   -5.24162800
 H                 -0.50346300    0.56139200   -5.04780000
 C                  1.32292300    3.39993900   -4.61885600
 H                  2.34881000    3.94403300   -2.79313300
 H                  0.19710700    2.58314000   -6.27004400
 H                  1.62296100    4.29394800   -5.15947600
 I                 -1.39476300   -0.76157800    3.45212600
 C                 -1.23931100   -1.42545300    1.36322200
 C                 -2.26925500   -1.02580000    0.47308600
 C                 -0.68116500   -2.72605600    1.21632900
 C                 -2.74949000   -1.93421300   -0.49622800
 H                 -2.84801600   -0.13755200    0.66863300
 C                 -1.13780900   -3.57989000    0.22529200
 H                  0.08294100   -3.06357400    1.90395000
 C                 -2.19751900   -3.19742700   -0.62064800
 H                 -3.57157900   -1.62848800   -1.13512800
 H                 -0.68692500   -4.56416500    0.12519200
 H                 -2.58038600   -3.88931600   -1.36414900

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


