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

Title Card Required

0 1
 C                  0.88390900   -4.92192700    0.88773100
 C                  1.36546500   -7.12886200    0.68138300
 C                  2.54268300   -6.45397200    0.62421600
 H                  1.13915900   -8.18208400    0.62192900
 H                  3.56051000   -6.79141400    0.49972800
 N                  2.22559300   -5.10801900    0.75216700
 N                  0.36012100   -6.17722100    0.84481000
 C                  3.15475700   -4.01117500    0.63117500
 C                  3.72254100   -3.46584200    1.79739200
 C                  3.42217900   -3.51521600   -0.66161400
 C                  4.61326200   -2.39447700    1.63824500
 C                  4.31541500   -2.44025700   -0.76540900
 C                  4.91001400   -1.88976000    0.37170400
 H                  5.06846300   -1.94458600    2.51623000
 H                  4.53906000   -2.02123000   -1.74232300
 H                  5.59975100   -1.05523300    0.27026900
 C                 -1.04040500   -6.52261500    0.86162800
 C                 -1.57039400   -7.10306700    2.03133700
 C                 -1.80838200   -6.29421800   -0.29635200
 C                 -2.91411800   -7.49969700    2.00463200
 C                 -3.15188000   -6.69651100   -0.26475700
 C                 -3.69715900   -7.30236500    0.86642800
 H                 -3.35460400   -7.95608700    2.88641900
 H                 -3.77856000   -6.52608900   -1.13531200
 H                 -4.74058300   -7.60732700    0.86718600
 C                  2.71865200   -4.06377200   -1.89776900
 H                  2.21469800   -4.99508800   -1.62426100
 C                  3.35685600   -3.96069800    3.18979100
 C                 -0.73605100   -7.28271100    3.29457200
 C                 -1.25263700   -5.60705400   -1.53875300
 Ni                 0.23939700   -3.17243200    1.00985600
 C                 -1.10748600   -1.34231500    3.63627000
 C                 -0.69366100   -1.54075900    4.96889700
 C                 -0.80770600   -0.09315900    3.06650100
 C                 -0.03671700   -0.55847700    5.70686900
 H                 -0.90543500   -2.50151100    5.43376900
 C                 -0.16296200    0.91211500    3.80618700
 C                  0.22453300    0.68714200    5.12434600
 H                  0.26058500   -0.75948100    6.73309600
 H                  0.72647300    1.47040200    5.68609300
 H                  0.03413600    1.86673400    3.32569500
 N                 -1.15853600    0.26267600    1.72391500
 H                 -1.70638400    1.12096700    1.61147300
 C                 -0.67316500   -0.30485700    0.62194200
 C                 -1.04170600    0.28619300   -0.70813500
 H                 -1.61294100    1.21317800   -0.61566600
 H                 -0.12455300    0.47038200   -1.27765600
 H                 -1.63350400   -0.45231600   -1.26190200
 O                  0.07986700   -1.31527500    0.66810600
 I                 -3.20422300    3.36420300    1.58220500
 H                  0.19824400   -6.72748700    3.16513000
 H                 -0.17998600   -5.44479600   -1.39925000
 H                  2.66823600   -4.80468600    3.08457900
 C                 -1.82453300   -2.51008500    2.96601000
 H                 -2.38177900   -2.98515500    3.79221100
 C                 -0.84207800   -3.61079300    2.52423600
 H                 -1.40002700   -4.51100600    2.26794600
 H                 -0.14112000   -3.85735300    3.32972000
 C                 -2.89566200   -2.17923800    1.90298700
 H                 -3.41815400   -1.25479000    2.18051300
 H                 -2.42816000   -1.99983900    0.92957000
 C                 -3.92573100   -3.30372800    1.73152300
 H                 -3.41686100   -4.24700700    1.49408400
 H                 -4.45226400   -3.46388200    2.68462300
 C                 -4.94622000   -3.00310600    0.62653600
 H                 -4.41382300   -2.88994600   -0.32980300
 H                 -5.43089900   -2.03539700    0.82713100
 C                 -6.01892800   -4.08924800    0.48293100
 H                 -5.52923700   -5.06153300    0.32994200
 H                 -6.58016100   -4.17198900    1.42668500
 C                 -6.99965400   -3.83327400   -0.66843400
 H                 -6.43778300   -3.76845400   -1.61233200
 H                 -7.47970500   -2.85361400   -0.52674900
 C                 -8.07643200   -4.91721000   -0.78917500
 H                 -8.76039900   -4.71380500   -1.62340000
 H                 -7.62538900   -5.90449900   -0.95938700
 H                 -8.67735200   -4.98124000    0.12820100
 C                  2.61865300   -2.85639800    3.97047200
 H                  2.25865200   -3.24360800    4.93150600
 H                  3.28117700   -2.00602700    4.17415200
 H                  1.75681700   -2.48728400    3.40539500
 C                  4.58805000   -4.46375500    3.96408100
 H                  5.30900000   -3.65589200    4.14045300
 H                  4.28285600   -4.85869900    4.94136100
 H                  5.10235700   -5.26495000    3.41865900
 C                  3.69672000   -4.39460100   -3.03798900
 H                  4.18922700   -3.49507600   -3.42604300
 H                  4.47506300   -5.09231400   -2.70531400
 H                  3.15444900   -4.86100300   -3.86986300
 C                  1.63107900   -3.07999500   -2.37115400
 H                  2.07118100   -2.11582200   -2.65519900
 H                  1.10127100   -3.48573000   -3.24141300
 H                  0.89357400   -2.89154600   -1.58208800
 C                 -1.41829900   -6.47157800   -2.80119100
 H                 -2.47490600   -6.63280900   -3.04700300
 H                 -0.94734200   -5.97493100   -3.65883300
 H                 -0.94533800   -7.45333200   -2.67458000
 C                 -1.90957900   -4.22529000   -1.72241500
 H                 -1.47941800   -3.70945400   -2.58918900
 H                 -2.99007000   -4.32089000   -1.88458100
 H                 -1.75158100   -3.59567500   -0.83891900
 C                 -0.37477100   -8.76464600    3.51052100
 H                  0.25847700   -8.87827100    4.39956000
 H                 -1.27954100   -9.36818100    3.65786300
 H                  0.16846600   -9.17242800    2.64964400
 C                 -1.43590900   -6.70258000    4.53760500
 H                 -1.71684000   -5.65467600    4.38416400
 H                 -2.34181800   -7.26448700    4.79458700
 H                 -0.76000000   -6.75106400    5.40055200

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








