%nproc=4
%Mem=3000MB
%Chk=H_6-I
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm
# scf(maxcyc=400,XQC) gfinput gfprint pop=full

opt freq

0 2
 Ni                 3.19335000    7.61491500   11.71328600
 P                  1.42114100    8.89806000   11.02938100
 C                  0.92926700   10.20501400   12.23542700
 C                 -0.14454400    7.94826000   10.80984700
 C                  1.53713400    9.85467100    9.45469000
 H                  0.00722700   10.71403700   11.93061000
 H                  1.73419900   10.94368500   12.31335900
 H                 -0.99097200    8.60345000   10.57235500
 H                 -0.35757600    7.39969300   11.73337800
 H                  1.66951500    9.16654200    8.61384500
 H                  2.41126400   10.51382600    9.49478900
 P                  4.67452100    9.10374900   12.61927200
 P                  3.72089000    6.19142300   10.00155600
 C                  5.17192800   10.56633900   11.60707600
 C                  6.29539000    8.30412600   12.99476300
 C                  4.24443100    9.87664900   14.23909700
 C                  3.47263200    6.77897500    8.26781500
 C                  5.51298200    5.74015200    9.99938200
 C                  2.91216400    4.53276300    9.96311700
 H                  5.94598000   11.16362400   12.10392800
 H                  4.29733600   11.20149600   11.42812700
 H                  6.99713300    9.00042000   13.46914000
 H                  6.73882700    7.92256500   12.06883300
 H                  4.00335100    9.08339400   14.95427800
 H                  3.35683100   10.50649200   14.12017600
 H                  3.98225500    7.73855400    8.13028300
 H                  2.40375800    6.92744900    8.08120600
 H                  6.11448200    6.64307500    9.84946500
 H                  5.74919300    5.01732500    9.20899900
 H                  3.14119400    4.00121000   10.89240200
 H                  3.25166400    3.93374700    9.10942800
 H                  0.78299700    9.74791500   13.21948000
 H                 -0.01831900    7.21718900   10.00393800
 H                  0.63923400   10.46021600    9.28337800
 H                  3.86141000    6.05808400    7.53849000
 H                  5.77644700    5.30789500   10.97047500
 H                  1.82558000    4.65920500    9.90808200
 H                  5.06726700   10.48533600   14.63304300
 H                  5.55019000   10.22549200   10.63698000
 H                  6.12182700    7.45502400   13.66458500
 I                  2.49872700    6.02825200   13.83966400

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


