%nproc=4
%Mem=3000MB
%Chk=H_7-I
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

opt freq

0 2
 Ni                 2.97694000    7.32161000   11.59716800
 P                  1.73021300    9.18358400   11.27788600
 P                  2.70143200    6.70177000   13.75815800
 C                  1.70482100   10.41968700   12.64600500
 C                 -0.06337500    8.85994600   10.99769100
 C                  2.19514000   10.20294200    9.81453500
 C                  3.65263600    7.70893400   14.97502300
 C                  0.98472800    6.78048000   14.42808800
 C                  3.21436900    4.97799400   14.16182700
 H                  1.07966700   11.28397700   12.39281700
 H                  2.72509900   10.76340100   12.84689300
 H                 -0.62405900    9.79195600   10.86137400
 H                 -0.47347300    8.31492500   11.85440400
 H                  2.13865400    9.58357700    8.91309500
 H                  3.22875700   10.54772200    9.92509800
 H                  3.32940300    8.75349700   14.91538100
 H                  4.71855300    7.66652200   14.72699200
 H                  0.61255400    7.80871700   14.36719700
 H                  0.95020100    6.44977000   15.47257900
 H                  2.62461700    4.27620500   13.56246900
 H                  3.07226000    4.75373200   15.22547000
 H                  1.31206900    9.95248300   13.55527300
 H                 -0.18205900    8.23511300   10.10619900
 H                  1.53561000   11.07105500    9.69924500
 H                  4.26945600    4.84342600   13.90105200
 H                  0.32944100    6.14002000   13.82804800
 H                  3.50701300    7.34509900   15.99878000
 I                  4.39144600    6.13458900    9.80203900

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


