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

opt freq

0 1
 Ni                 0.02935700    0.56132300   -0.37060700
 P                  0.50429900    0.70327600   -2.53514000
 C                 -0.53935200   -0.20767600   -3.77843700
 C                 -1.93168500   -0.21016300   -3.59155400
 H                 -2.35782600    0.29819200   -2.73554300
 C                 -2.77614300   -0.85984800   -4.49292800
 H                 -3.85000400   -0.84005600   -4.32754200
 C                 -2.24089600   -1.53054800   -5.59620900
 H                 -2.89526700   -2.04383500   -6.29610500
 C                 -0.85786500   -1.53513800   -5.79396200
 H                 -0.43120100   -2.04987000   -6.65135800
 C                 -0.01361900   -0.87353100   -4.89733500
 H                  1.05651100   -0.87856300   -5.07651700
 C                  2.19871000    0.20660400   -3.10240100
 C                  2.65172900   -1.06901700   -2.72932400
 H                  1.99749500   -1.72251900   -2.16197600
 C                  3.93652100   -1.49710600   -3.06047200
 H                  4.27089400   -2.48271400   -2.74884600
 C                  4.79657100   -0.64802500   -3.76471600
 H                  5.80447100   -0.97259100   -4.01024900
 C                  4.35432400    0.61974700   -4.14918200
 H                  5.01490900    1.28376200   -4.70130400
 C                  3.06068400    1.04288900   -3.82782800
 H                  2.73146200    2.03160800   -4.13216400
 P                 -1.58635600    1.99558400    0.19124100
 C                 -2.59999600    1.62418800    1.71017600
 C                 -3.69269300    2.40950900    2.11564600
 H                 -3.97404400    3.28858800    1.54402500
 C                 -4.43324500    2.06332500    3.24586600
 H                 -5.27595100    2.68017500    3.54845200
 C                 -4.09804900    0.92223900    3.98562800
 H                 -4.68060100    0.65250500    4.86304100
 C                 -3.01475400    0.13577700    3.59201700
 H                 -2.73922500   -0.75188300    4.15511600
 C                 -2.27240800    0.49230700    2.46240900
 H                 -1.42163200   -0.10353900    2.16075700
 C                 -1.13005700    3.77149600    0.49944100
 C                 -2.00247700    4.85813100    0.32263100
 H                 -3.00952400    4.69557300   -0.04786300
 C                 -1.57943400    6.16159400    0.59264800
 H                 -2.26649200    6.99064100    0.44225700
 C                 -0.28037500    6.40248900    1.05032500
 H                  0.04630100    7.41875200    1.25544500
 C                  0.59524700    5.32959900    1.23452200
 H                  1.61273400    5.49790900    1.57800600
 C                  0.17002900    4.02918700    0.95706700
 H                  0.86339800    3.20528900    1.06900300
 P                  1.77700200    0.31179100    0.95767400
 C                  1.51056500    0.15083100    2.79403800
 C                  0.66707200    1.08383800    3.41996000
 H                  0.21352600    1.87433100    2.83176200
 C                  0.38975800    1.00257100    4.78449200
 H                 -0.27007900    1.73480700    5.24231800
 C                  0.93698100   -0.03054900    5.55046300
 H                  0.70968900   -0.10565900    6.61066000
 C                  1.77751600   -0.96580200    4.94222400
 H                  2.21428100   -1.77040900    5.52875600
 C                  2.07033600   -0.87089200    3.57812800
 H                  2.73128900   -1.60449100    3.12865100
 C                  2.96404500    1.74367800    0.88744700
 C                  3.32148700    2.53237900    1.99175800
 H                  2.94763300    2.29327900    2.98144800
 C                  4.15602100    3.64428300    1.83305500
 H                  4.41446700    4.24591800    2.70104700
 C                  4.65989800    3.97714200    0.57406500
 H                  5.30661900    4.84230700    0.45371000
 C                  4.32910700    3.18367900   -0.52885400
 H                  4.71806500    3.42206500   -1.51566200
 C                  3.48736500    2.08380100   -0.37194400
 H                  3.23976100    1.48044300   -1.23634000
 C                  2.93420700   -1.11610100    0.66893100
 C                  2.37878400   -2.36632400    0.35380400
 C                  4.32959100   -1.01293700    0.77656000
 C                  3.19076000   -3.48361300    0.15265100
 H                  1.30404700   -2.46202600    0.24452000
 C                  5.14582200   -2.12630700    0.55982600
 H                  4.78801000   -0.06181700    1.02798700
 C                  4.58034800   -3.36561200    0.24971500
 H                  2.73781200   -4.44137800   -0.09116500
 H                  6.22528300   -2.02383900    0.63825500
 H                  5.21629300   -4.23119800    0.08307000
 C                 -2.94579300    2.14193800   -1.05880600
 C                 -2.82373300    2.99324800   -2.17149200
 C                 -4.03860100    1.25676600   -1.01330400
 C                 -3.76586200    2.96410000   -3.20067300
 H                 -1.98823700    3.68112500   -2.24038000
 C                 -4.97914500    1.22679100   -2.04587600
 H                 -4.15336700    0.58022700   -0.17200600
 C                 -4.84676400    2.08006700   -3.14488100
 H                 -3.64721900    3.63122300   -4.05057300
 H                 -5.81545500    0.53428600   -1.98929700
 H                 -5.57729300    2.05528600   -3.94920900
 C                  0.38895900    2.44260700   -3.16102900
 C                  0.82892200    3.46096200   -2.30126500
 C                 -0.15086000    2.79597500   -4.40635700
 C                  0.71984100    4.80297500   -2.66546900
 H                  1.23260100    3.19608000   -1.33119800
 C                 -0.26819200    4.14054300   -4.77021000
 H                 -0.49706300    2.02653900   -5.08940600
 C                  0.16115700    5.14699300   -3.90041100
 H                  1.04968300    5.57485500   -1.97511400
 H                 -0.70102400    4.40075300   -5.73305300
 H                  0.05879400    6.19190700   -4.18197000
 I                 -1.45173800   -1.75913200   -0.47396100
 C                 -1.80793800   -2.74648800    1.38587500
 C                 -3.02818200   -3.39465700    1.59685800
 C                 -0.84161700   -2.68650400    2.39243300
 C                 -3.27630500   -3.99091900    2.83716800
 H                 -3.77974900   -3.42873500    0.81380700
 C                 -1.10528900   -3.28054100    3.62979500
 H                  0.09408800   -2.16544500    2.23222700
 C                 -2.32021100   -3.93330800    3.85510900
 H                 -4.22449500   -4.49503900    3.00539900
 H                 -0.35713000   -3.21825600    4.41555000
 H                 -2.52264000   -4.39247800    4.81886600

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


