%nprocshared=20
%mem=40GB
%chk=NiP3-IPh_PMe2Ph_scanCI_s19t_ossts_ircfwd1_oss_spbbtrip
#p sp ub3lyp/genecp scrf=(smd,solvent=Tetrahydrofuran) nosymm empiricaldispersion=gd3 gfinput gfprint pop=full scf=(maxcyc=400,xqc) guess=(read,mix)

sp oss

0 1
 Ni                -0.47346700    0.63783000   -0.19883400
 P                  0.06944800   -0.28957200   -2.22969100
 P                 -1.77334800   -1.00075600    0.75351400
 P                  1.27933300    1.02946800    1.22852300
 C                  1.72350300    0.37709700   -2.67487600
 C                  1.82564600    1.73960900   -3.01012100
 H                  0.93005200    2.35218100   -3.06378600
 C                  3.07097700    2.32152000   -3.24730600
 H                  3.13070500    3.37519000   -3.50746700
 C                  4.23769300    1.55763100   -3.13818400
 H                  5.20809300    2.01367500   -3.31551800
 C                  4.14785300    0.20593500   -2.79814800
 H                  5.04911400   -0.39598300   -2.71299700
 C                  2.89988100   -0.38244800   -2.57006600
 H                  2.85365000   -1.43611700   -2.31149000
 C                 -0.94539100    0.06111500   -3.73245500
 H                 -1.91550900   -0.43272800   -3.61589000
 H                 -0.45945200   -0.29782600   -4.64640100
 H                 -1.12152700    1.13809800   -3.80884900
 C                  0.25863000   -2.12250800   -2.32155000
 H                 -0.73520000   -2.56498100   -2.19506700
 H                  0.89639600   -2.47955500   -1.50738600
 H                  0.67544200   -2.45050900   -3.28037800
 C                 -3.01961200   -1.60297100   -0.45885600
 C                 -3.39308700   -2.94689600   -0.60966400
 H                 -2.95377100   -3.71600300    0.01893300
 C                 -4.33358400   -3.31424100   -1.57711600
 H                 -4.61004800   -4.35964500   -1.68904100
 C                 -4.91799600   -2.34396300   -2.39488000
 H                 -5.64967200   -2.63258200   -3.14491300
 C                 -4.55403400   -1.00137000   -2.24921500
 H                 -4.99837400   -0.24157800   -2.88686300
 C                 -3.60306800   -0.63526300   -1.29566500
 H                 -3.28803500    0.40257300   -1.20859800
 C                 -2.81318200   -0.52293600    2.20035500
 H                 -3.47238600    0.29658100    1.90639500
 H                 -2.16652000   -0.16877200    3.00791400
 H                 -3.41636800   -1.36732800    2.55272500
 C                 -0.93729100   -2.52434900    1.36880800
 H                 -0.23065100   -2.22880900    2.15081100
 H                 -0.37498900   -2.99982600    0.55941100
 H                 -1.64192300   -3.24519900    1.79721200
 C                  0.92661400    1.50088400    2.96959000
 C                  0.49585100    0.51734300    3.87805100
 H                  0.42743200   -0.52111000    3.56397900
 C                  0.15072600    0.85648600    5.18659900
 H                 -0.17497200    0.08168400    5.87606800
 C                  0.22096500    2.18804400    5.60956100
 H                 -0.04885400    2.45310900    6.62831600
 C                  0.63853800    3.17440700    4.71309500
 H                  0.69331900    4.21241900    5.03077600
 C                  0.98964300    2.83485900    3.40316900
 H                  1.30739100    3.61770500    2.72133600
 C                  2.44183800   -0.39760800    1.41990400
 H                  1.91324400   -1.26829200    1.81899800
 H                  3.28633600   -0.15686200    2.07515000
 H                  2.81887100   -0.65716800    0.42452800
 C                  2.41760000    2.34891400    0.62647300
 H                  1.85049200    3.25909100    0.41202400
 H                  2.86031500    2.00346000   -0.31288500
 H                  3.21656100    2.56698000    1.34384900
 I                 -1.41186000    3.09657400   -0.84530200
 C                 -3.57582800    3.09596400    1.93138800
 C                 -2.74140000    2.99272600    3.02567700
 C                 -4.88991200    2.67410500    1.88712300
 C                 -3.28619800    2.42351800    4.18922500
 H                 -1.70533300    3.31642400    2.99949200
 C                 -5.41472100    2.10270700    3.06017200
 H                 -5.50044700    2.77065100    0.99261800
 C                 -4.61329000    1.98008800    4.20069500
 H                 -2.66285400    2.31810200    5.07373300
 H                 -6.44509100    1.75404200    3.07561000
 H                 -5.02530300    1.53405600    5.10232000

 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











