%nprocshared=24
%mem=100GB
%chk=NiP3-IPh_PMePh2_scanCI_s22_t2_ossts_spbbtrip
#p sp ub3lyp/genecp scrf=(smd,solvent=Tetrahydrofuran) nosymm empiricaldispersion=gd3 gfinput gfprint pop=full scf=(maxcyc=400,xqc) guess=(read,mix)

oss ts as oss from triplet chk

0 1
 Ni                -1.08585700    0.77954500   -0.00087100
 P                 -0.89894500    0.78396000   -2.22754300
 C                 -2.43407500    0.14098400   -3.02770700
 C                 -3.53982500    0.98642500   -3.21420900
 H                 -3.45687800    2.04703700   -2.99927300
 C                 -4.75937800    0.47823700   -3.66745400
 H                 -5.60297700    1.14969800   -3.80619300
 C                 -4.89487400   -0.88585800   -3.94075100
 H                 -5.84457600   -1.28213400   -4.29003300
 C                 -3.79847700   -1.73504700   -3.76570600
 H                 -3.89127800   -2.79687300   -3.97921000
 C                 -2.57902400   -1.22717600   -3.31416300
 H                 -1.73932400   -1.90094300   -3.17644900
 C                  0.40267400   -0.29059800   -2.97945700
 C                  1.20097500   -1.08318600   -2.14430900
 H                  1.04585900   -1.04417700   -1.07155400
 C                  2.17970300   -1.92406800   -2.68236000
 H                  2.78199500   -2.53818800   -2.01901700
 C                  2.36918800   -1.98016700   -4.06411900
 H                  3.12973400   -2.63264000   -4.48548200
 C                  1.57186100   -1.19868600   -4.90807100
 H                  1.71150600   -1.24369100   -5.98525100
 C                  0.59264900   -0.36314700   -4.37036900
 H                 -0.03313400    0.22202600   -5.03910800
 C                 -0.62840100    2.38742000   -3.11998100
 H                 -0.67104700    2.27944600   -4.20838800
 H                  0.35653100    2.77114000   -2.83443300
 H                 -1.38128500    3.11459700   -2.80242500
 P                 -2.67353700    2.23587300    0.72406700
 C                 -3.11322700    1.88510200    2.47752300
 C                 -2.21973400    2.24641600    3.50106100
 H                 -1.32534500    2.81299500    3.26524500
 C                 -2.47052200    1.87956200    4.82320400
 H                 -1.76781200    2.17209100    5.59838500
 C                 -3.60967100    1.13367300    5.14391600
 H                 -3.80105500    0.84261000    6.17352300
 C                 -4.49879500    0.76362400    4.13225400
 H                 -5.38415500    0.17874700    4.36796000
 C                 -4.25479800    1.13757100    2.80788100
 H                 -4.95185500    0.82572200    2.03685600
 C                 -2.09985600    3.98965800    0.77852800
 C                 -2.72667300    4.96273000    1.57352100
 H                 -3.55357600    4.68485200    2.22156000
 C                 -2.28185000    6.28538300    1.55264100
 H                 -2.76711900    7.02814000    2.18068800
 C                 -1.21577900    6.65540100    0.72538800
 H                 -0.87236000    7.68647600    0.70919500
 C                 -0.59072900    5.69514400   -0.07349400
 H                  0.24556000    5.97250600   -0.71010100
 C                 -1.02456000    4.36687700   -0.03739600
 H                 -0.51328500    3.60838200   -0.62044900
 C                 -4.33449600    2.45143700   -0.07246600
 H                 -4.98680200    3.08116600    0.54205500
 H                 -4.81192500    1.48232600   -0.23595800
 H                 -4.18997400    2.93453200   -1.04267800
 P                 -1.55764100   -1.15549600    1.09171900
 C                 -0.70577800   -2.65071600    0.43225700
 C                  0.57095100   -3.00738400    0.89911800
 H                  1.02328200   -2.46501900    1.72464200
 C                  1.27912000   -4.05282300    0.30073200
 H                  2.26491500   -4.31687800    0.67556600
 C                  0.72699500   -4.75528700   -0.77374800
 H                  1.28120000   -5.56490700   -1.24096400
 C                 -0.54308900   -4.40877500   -1.24305800
 H                 -0.98377400   -4.95023000   -2.07653300
 C                 -1.25248000   -3.36565400   -0.64643700
 H                 -2.23593300   -3.10396000   -1.02536000
 C                 -3.33459400   -1.64616500    1.06729500
 C                 -4.11956000   -1.20700300   -0.01002400
 H                 -3.66062700   -0.61475600   -0.79432500
 C                 -5.48230300   -1.50852900   -0.07148100
 H                 -6.07039900   -1.16386500   -0.91781800
 C                 -6.08132900   -2.24070700    0.95675700
 H                 -7.14391000   -2.46665300    0.91975300
 C                 -5.30806400   -2.68306600    2.03501400
 H                 -5.76913700   -3.25350300    2.83740500
 C                 -3.94254600   -2.39482200    2.08716900
 H                 -3.35921000   -2.74596400    2.93303600
 C                 -1.12660600   -1.19721700    2.88892000
 H                 -1.12375800   -2.20798000    3.30885500
 H                 -1.84582000   -0.57654500    3.42959900
 H                 -0.13714400   -0.74818100    3.01481300
 I                  1.24983500    1.32001300    0.98080100
 C                  1.34745100    2.74765900    2.96125300
 C                  1.34790700    2.13156500    4.21011500
 C                  1.11494500    4.11433700    2.82747100
 C                  1.12129100    2.90714900    5.35552100
 H                  1.50390100    1.05837800    4.30013000
 C                  0.87746600    4.88298400    3.97525900
 H                  1.09039900    4.58077500    1.84725700
 C                  0.87918400    4.28010800    5.23733800
 H                  1.12352900    2.43644100    6.33667900
 H                  0.68245100    5.94900000    3.87800100
 H                  0.68797000    4.87649300    6.12584200

 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









