%nprocshared=12
%mem=20GB
%chk=NiP3-IPh_PMe2Ph_scanCI_s19t_ossts_ircrev1_oss_spbb
#p sp b3lyp/genecp scrf=(smd,solvent=Tetrahydrofuran) nosymm empiricaldispersion=gd3 gfinput gfprint pop=full scf=(maxcyc=400,xqc)

sp big basis

0 1
 Ni                -0.28787400    0.20661100    0.10664600
 P                  0.18039100   -0.32849400   -1.95012300
 P                 -1.74657500   -1.18795100    0.91742300
 P                  1.46724900    0.60923200    1.33973400
 C                  1.61298000    0.59628900   -2.66746200
 C                  1.47843700    1.98279500   -2.86850200
 H                  0.52004800    2.46489900   -2.68310900
 C                  2.55999000    2.75773000   -3.28437200
 H                  2.43089800    3.82639400   -3.43845200
 C                  3.81111000    2.16521800   -3.49236800
 H                  4.65804800    2.76987800   -3.80596100
 C                  3.96111900    0.79188200   -3.29249900
 H                  4.92758500    0.31986400   -3.45297300
 C                  2.87073800    0.01314200   -2.88869100
 H                  3.01475900   -1.05299800   -2.73942200
 C                 -1.10912300   -0.07017100   -3.26413700
 H                 -1.99249400   -0.66237800   -3.00145200
 H                 -0.75710400   -0.36467000   -4.26014900
 H                 -1.40721100    0.98290500   -3.28583900
 C                  0.61424100   -2.09892900   -2.29105100
 H                 -0.28291200   -2.69809000   -2.10241900
 H                  1.39836600   -2.43854600   -1.60728400
 H                  0.93577700   -2.26519300   -3.32624100
 C                 -3.00827200   -1.69701000   -0.33282300
 C                 -2.96309900   -2.92414800   -1.01450400
 H                 -2.23113400   -3.67770800   -0.73846900
 C                 -3.85221600   -3.19710200   -2.05973100
 H                 -3.79710700   -4.15286700   -2.57558700
 C                 -4.80864300   -2.25238100   -2.43683000
 H                 -5.49953800   -2.46517300   -3.24840900
 C                 -4.87090700   -1.02923800   -1.75853000
 H                 -5.61410300   -0.28721200   -2.04068700
 C                 -3.97706600   -0.75346100   -0.72453700
 H                 -4.02516700    0.20937200   -0.22172100
 C                 -2.84710400   -0.80550700    2.36607400
 H                 -3.49937000    0.03885200    2.13020300
 H                 -2.21855800   -0.51622200    3.21427500
 H                 -3.46533500   -1.66717100    2.64662300
 C                 -1.04631200   -2.80893700    1.48643900
 H                 -0.47370300   -2.61701800    2.40044200
 H                 -0.35382300   -3.20563600    0.73755800
 H                 -1.81890700   -3.55575300    1.70644800
 C                  1.12589300    1.41583100    2.96775900
 C                  0.48538900    0.67063700    3.97603200
 H                  0.28811500   -0.38751700    3.82115100
 C                  0.08073100    1.27022600    5.16821100
 H                 -0.40898700    0.67290000    5.93354000
 C                  0.29374900    2.63825800    5.37586700
 H                 -0.02987300    3.10943100    6.30019900
 C                  0.92366400    3.39189500    4.38345300
 H                  1.09363300    4.45545500    4.53249800
 C                  1.33880400    2.78651000    3.19214400
 H                  1.82243900    3.39574100    2.43437900
 C                  2.48281000   -0.85742600    1.85992600
 H                  1.86678700   -1.55922500    2.43073300
 H                  3.35425300   -0.57241100    2.46171700
 H                  2.82229200   -1.37101700    0.95331500
 C                  2.81483700    1.67729600    0.64188200
 H                  2.40139500    2.62710900    0.28881400
 H                  3.22727500    1.15696900   -0.22871100
 H                  3.62138500    1.87582800    1.35837600
 I                 -1.44110400    2.56136600   -0.15989300
 C                 -2.88546900    2.68983000    1.40893200
 C                 -2.44280900    2.66714800    2.73407600
 C                 -4.24858100    2.71056600    1.10017200
 C                 -3.38648500    2.66309400    3.76427800
 H                 -1.38431600    2.63012300    2.96203500
 C                 -5.18139700    2.69849300    2.14307900
 H                 -4.58209300    2.72224300    0.06702800
 C                 -4.75368400    2.67389600    3.47322300
 H                 -3.04317000    2.64091500    4.79518300
 H                 -6.24290800    2.70607800    1.90916900
 H                 -5.48305000    2.66175100    4.27856200

 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








