%nprocshared=12
%Mem=22GB
%Chk=cis-NiIPhITMe2
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

cis-NiIPh(ITMe)2 big basis

0 1
 C                  0.24561400    0.43039000   -0.84317400
 C                  1.22768000   -0.05887900   -0.03134000
 C                 -0.09217400   -1.81749600   -0.64291100
 N                 -0.54446300   -0.66521600   -1.20316800
 N                  0.99390600   -1.43336000    0.07462600
 Ni                -0.78787500   -3.63684000   -0.96883000
 C                  0.76585700   -4.08043500   -1.93749800
 N                  1.76657800   -4.91209000   -1.55222900
 N                  1.14508100   -3.62949600   -3.15973200
 C                  2.77062100   -4.98581800   -2.52432700
 C                  2.37758800   -4.17079700   -3.54429300
 C                 -1.86178700   -5.56592700   -2.86906800
 C                 -2.40029200   -6.77733400   -3.32037400
 C                 -1.47506800   -5.36542500   -1.52763000
 C                 -2.54731000   -7.85065600   -2.43749300
 H                 -2.69663600   -6.88556200   -4.36268600
 C                 -1.63704500   -6.46808200   -0.66353400
 C                 -2.15773400   -7.68998800   -1.10360000
 H                 -2.95684200   -8.79741200   -2.78258400
 H                 -1.36567900   -6.36615300    0.38571200
 H                 -2.26779800   -8.51606900   -0.40276900
 C                 -1.74862000   -0.56085300   -2.01513000
 H                 -1.50824900   -0.16699800   -3.00735300
 H                 -2.18870400   -1.55351200   -2.10904800
 H                 -2.47350900    0.09973200   -1.53042900
 C                 -0.04894400    1.81327600   -1.31603900
 H                 -0.03706700    1.87734500   -2.41169200
 H                 -1.03717400    2.15260300   -0.98008600
 H                  0.69538800    2.51533300   -0.93063000
 C                  2.35382600    0.62089700    0.67053600
 H                  3.32659100    0.20717700    0.37559000
 H                  2.35759300    1.68866900    0.43551400
 H                  2.27143300    0.51948800    1.76023500
 C                  1.81633000   -2.35264200    0.84721900
 H                  1.23990400   -3.26120900    1.01509200
 H                  2.73839600   -2.59827200    0.30970000
 H                  2.06979500   -1.90691500    1.81210300
 C                  1.77444000   -5.69178700   -0.32258700
 H                  1.75468200   -6.76081000   -0.55352600
 H                  2.66928400   -5.46471700    0.26418300
 H                  0.88662300   -5.43767700    0.25406400
 C                  0.39032900   -2.67186800   -3.95464000
 H                  0.86692300   -1.68657200   -3.92801400
 H                  0.32738500   -3.01439600   -4.99044100
 H                 -0.61417400   -2.59823000   -3.54179400
 C                  3.98140900   -5.83721600   -2.34973900
 H                  4.56192700   -5.54019200   -1.46673600
 H                  3.71665600   -6.89481400   -2.22535600
 H                  4.63309400   -5.75594100   -3.22368600
 C                  3.02584100   -3.83661000   -4.84464500
 H                  2.40839200   -4.14664000   -5.69737700
 H                  3.20442900   -2.75833100   -4.94367300
 H                  3.99003000   -4.34520800   -4.92802400
 H                 -1.73547600   -4.75538400   -3.58617800
 I                 -2.84264200   -3.18038400    0.70043100

  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
****
N C H 0
6-311+G(d,p)
****

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








