%nprocshared=24
%mem=100GB
%chk=NiP3_eta2_PMePh2_scanNiC_s10ts_spbb
#p sp b3lyp/genecp scrf=(smd,solvent=Tetrahydrofuran) nosymm empiricaldispersion=gd3 gfinput gfprint pop=full scf=(maxcyc=400,xqc)

big basis sp

0 1
 Ni                -1.74979600    3.37904100    0.08652900
 P                 -1.25700300    3.37594500   -2.08759300
 P                  0.19711900    3.46751600    1.17526800
 P                 -3.18227900    5.04013700    0.40522900
 C                  0.22338400    4.42093300   -2.47338700
 C                  0.12527000    5.82191800   -2.40823400
 H                 -0.82953400    6.29058400   -2.20004500
 C                  1.24784300    6.63044500   -2.58942200
 H                  1.14155100    7.71072300   -2.53162200
 C                  2.49978000    6.05661500   -2.83037300
 H                  3.37608500    6.68546600   -2.96456000
 C                  2.61346800    4.66594500   -2.89686100
 H                  3.58044300    4.20562000   -3.08533700
 C                  1.48655800    3.85685500   -2.72331500
 H                  1.60475900    2.77882900   -2.77767200
 C                 -2.50073400    4.10732400   -3.26200000
 H                 -3.41017400    3.49793500   -3.21666000
 H                 -2.13243100    4.12789600   -4.29483200
 H                 -2.75563800    5.12511400   -2.95682300
 C                 -0.85705500    1.84842200   -3.07423800
 H                 -1.77636400    1.27079000   -3.19962100
 H                 -0.13015900    1.22072200   -2.55110100
 H                 -0.46549500    2.10619300   -4.06485600
 C                  0.24234300    3.44704000    3.02459400
 C                 -0.25474700    4.56762800    3.71409200
 H                 -0.58457500    5.43953200    3.15489500
 C                 -0.35315500    4.57278000    5.10413200
 H                 -0.73991700    5.45112500    5.61537700
 C                  0.03834500    3.44773700    5.83971900
 H                 -0.04235400    3.44663000    6.92364800
 C                  0.54217000    2.33120900    5.16939600
 H                  0.85635400    1.45479100    5.73133800
 C                  0.64694100    2.33235800    3.77487500
 H                  1.03395000    1.44757700    3.27831600
 C                  1.40661600    2.12423200    0.74234000
 H                  0.97113900    1.13194300    0.89424700
 H                  2.34332000    2.19499100    1.30800400
 H                  1.63028600    2.23060700   -0.32445000
 C                  1.31282600    4.92262400    0.86607800
 H                  0.80123700    5.85834500    1.09729000
 H                  1.58856400    4.94103400   -0.19000300
 H                  2.22334900    4.85146400    1.47217100
 C                 -2.56082600    6.69432400   -0.15126100
 C                 -3.03570300    7.34926300   -1.29970700
 H                 -3.84846000    6.92494800   -1.87980500
 C                 -2.46872700    8.55522400   -1.72606700
 H                 -2.84810000    9.03793300   -2.62337800
 C                 -1.42442100    9.13709100   -1.00537300
 H                 -0.98241500   10.07254500   -1.33809000
 C                 -0.95784600    8.50839300    0.15409900
 H                 -0.15194300    8.95575500    0.73055300
 C                 -1.52017900    7.30274600    0.57214200
 H                 -1.14300400    6.82738600    1.47262900
 C                 -3.79051200    5.50597200    2.10333900
 H                 -4.43818500    4.70724900    2.47627800
 H                 -4.35562600    6.44505800    2.08417500
 H                 -2.94894400    5.60133400    2.79471200
 C                 -4.83229400    4.97139400   -0.44672900
 H                 -5.40135700    4.14467800   -0.01413500
 H                 -4.71330800    4.76566300   -1.51383800
 H                 -5.40447300    5.89713800   -0.31434800
 C                 -3.21971500    1.72218200    1.21338600
 C                 -2.14833900    1.07133600    0.55982800
 H                 -1.22477100    0.87105200    1.08685500
 C                 -2.40958100    0.39599000   -0.65537000
 H                 -1.59866600   -0.15288700   -1.12404000
 C                 -4.51196600    1.71698500    0.63370700
 H                 -5.33892600    2.18327600    1.15866500
 C                 -3.67143900    0.41121200   -1.22996700
 H                 -3.85287700   -0.11360100   -2.16409100
 C                 -4.72380900    1.09001600   -0.58596400
 H                 -5.71782600    1.10152200   -1.02581500
 I                 -3.12594700    2.00355000    3.34339400

 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(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











