%nproc=8
%Mem=24000MB
#p SCRF(SMD,Solvent=acetone) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC)

Title Card Required

0 2
 C                 -1.45127300    0.22867600    0.48151900
 C                  0.00090300    1.79027400    1.29547400
 C                 -1.19978200    2.40189100    1.13701400
 H                  0.95257800    2.16453100    1.63857600
 H                 -1.51517100    3.41868200    1.31560900
 N                 -2.06731000    1.43767200    0.63475300
 N                 -0.17214300    0.46492000    0.90085700
 C                 -3.40311700    1.72105300    0.17383200
 C                 -4.50169800    1.36471600    0.97787800
 C                 -3.54554100    2.34447300   -1.08347800
 C                 -5.78211400    1.67519300    0.49623300
 C                 -4.84584900    2.63563100   -1.51732700
 C                 -5.95420500    2.30915200   -0.73440500
 H                 -6.65294900    1.41497900    1.09153500
 H                 -4.99133200    3.11043500   -2.48370800
 H                 -6.95585200    2.54009000   -1.08928100
 C                  0.91593900   -0.47325200    0.78368900
 C                  1.41770300   -1.09669100    1.94586800
 C                  1.46036900   -0.69740900   -0.49760100
 C                  2.49248700   -1.98332400    1.78993900
 C                  2.52189900   -1.60824800   -0.59925200
 C                  3.03514600   -2.24294100    0.53060800
 H                  2.90789400   -2.48202700    2.66038500
 H                  2.94889900   -1.82288000   -1.57486600
 H                  3.85907700   -2.94517800    0.43094300
 C                 -2.35320300    2.67250400   -1.97567100
 H                 -1.44023700    2.37258400   -1.45536200
 C                 -4.34204800    0.65490400    2.31604600
 C                  0.85220100   -0.80520900    3.33246000
 H                 -0.14747000   -0.37504300    3.20406900
 C                  0.94303300    0.00242200   -1.74977600
 Ni                -2.41984900   -1.39095300   -0.13132000
 C                 -1.87176200   -3.49496200    0.50648400
 H                 -2.72806900   -4.05242400    0.12490200
 C                 -2.04295500   -2.72044900    1.61690200
 H                 -2.99643100   -2.68046500    2.13833300
 H                 -1.19791400   -2.25486800    2.11150800
 C                 -0.54308000   -3.81537000   -0.12534100
 H                 -0.61289300   -3.67345400   -1.21184100
 H                  0.21799600   -3.12110600    0.24227100
 I                 -4.11106400   -1.90844200   -2.12389700
 H                  0.20467500    0.74970100   -1.44986200
 H                 -3.27989000    0.44352900    2.46851300
 C                 -4.81050900    1.54429900    3.48221300
 H                 -4.25493000    2.49013800    3.50821000
 H                 -5.87876600    1.78033200    3.39768000
 H                 -4.65356000    1.03075000    4.43943300
 C                 -5.08335300   -0.69485800    2.31316100
 H                 -6.16980800   -0.55407400    2.25646500
 H                 -4.77490400   -1.30716000    1.45757600
 H                 -4.86457400   -1.25091500    3.23339800
 C                  1.72430600    0.23490900    4.06592700
 H                  1.81454400    1.16581400    3.49645800
 H                  1.28952200    0.47429700    5.04481900
 H                  2.73513900   -0.16046300    4.22934500
 C                  0.70896600   -2.06618900    4.20532000
 H                  1.68577900   -2.45514000    4.51656200
 H                  0.14856900   -1.82238600    5.11626800
 H                  0.17717600   -2.87025300    3.68531500
 C                 -2.24886300    4.18389000   -2.24895400
 H                 -1.35376500    4.39935400   -2.84620000
 H                 -3.11990700    4.55058200   -2.80633600
 H                 -2.17943800    4.75435000   -1.31445900
 C                 -2.40506400    1.87236000   -3.29043600
 H                 -3.27736300    2.15204900   -3.89443700
 H                 -1.50392900    2.06875100   -3.88514900
 H                 -2.46183800    0.79648300   -3.09525300
 C                  2.06636700    0.75305200   -2.48831700
 H                  2.56990700    1.46718800   -1.82497400
 H                  2.82339000    0.06617500   -2.88626800
 H                  1.64587500    1.31171700   -3.33397200
 C                  0.23037600   -0.99029700   -2.68612000
 H                  0.91204300   -1.78377800   -3.01751000
 H                 -0.62363600   -1.45890100   -2.18468600
 H                 -0.14478700   -0.46940600   -3.57544300
 C                 -0.09650300   -5.26338700    0.15808500
 H                 -0.86772100   -5.96235500   -0.19765300
 H                 -0.01735300   -5.40749100    1.24556600
 C                  1.24636400   -5.59529100   -0.50476400
 H                  1.16327100   -5.42964400   -1.58985900
 H                  2.00781400   -4.88957400   -0.14290600
 C                  1.72080200   -7.03024500   -0.24543500
 H                  0.96350300   -7.73829000   -0.61584700
 H                  1.79678900   -7.19824500    0.84004600
 C                  3.07238100   -7.34835200   -0.89903900
 H                  2.99858400   -7.17816100   -1.98346600
 H                  3.82819500   -6.64113400   -0.52600900
 C                  3.54248800   -8.78380000   -0.63837500
 H                  4.51229100   -8.98252200   -1.11292300
 H                  3.65232800   -8.97470400    0.43788000
 H                  2.82170200   -9.51283000   -1.03307500

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 
****
-C -H -N -O
6-311++G**
****
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        
****

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



