%nprocshared=12
%Mem=20GB
%Chk=NiIMes2_ClPh_bb
#p SCRF(SMD,Solvent=TetraHydroFuran) B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full 

Ni(IMes)2(ClPh) big basis

0 1
 C                 -0.46096800    1.02868000    0.08025200
 C                  0.56966100    1.81967200   -0.30295400
 C                  1.27728100   -0.36192900   -0.50984000
 N                 -0.02232900   -0.28858700   -0.04712500
 N                  1.61454800    0.96661200   -0.65516000
 Ni                 2.33902200   -1.84633300   -0.85667900
 C                  3.40810600   -3.30564100   -1.28682800
 N                  4.69387700   -3.61855600   -0.88557900
 N                  3.09087500   -4.36169300   -2.11234900
 C                  5.14136400   -4.81347700   -1.44800700
 C                  4.13243500   -5.28195200   -2.22064800
 H                  6.12562300   -5.20668800   -1.24560400
 H                  4.05212700   -6.16797500   -2.83163900
 H                 -1.45539000    1.26972500    0.42312000
 H                  0.66256600    2.89339300   -0.36220500
 C                  1.81844600   -4.53227400   -2.75306600
 C                  0.77913700   -5.15257900   -2.04102800
 C                  1.66322700   -4.11372000   -4.08349200
 C                 -0.42531000   -5.38509000   -2.71137200
 C                  0.43429400   -4.35347900   -4.70862600
 C                 -0.61632200   -4.99502600   -4.04229500
 H                 -1.23709600   -5.87357600   -2.17755800
 H                  0.29592700   -4.03125200   -5.73857100
 C                  5.47072200   -2.83459800    0.03150200
 C                  6.00348800   -1.60603200   -0.39666800
 C                  5.70507000   -3.33192100    1.32444900
 C                  6.75789100   -0.86305900    0.51689600
 C                  6.46687700   -2.55124700    2.20244400
 C                  6.99211100   -1.31183500    1.82186900
 H                  7.17208500    0.09000600    0.19791000
 H                  6.65128900   -2.92321400    3.20818300
 C                 -0.81643900   -1.42962800    0.30447400
 C                 -1.33364800   -2.24502200   -0.71626500
 C                 -1.07935900   -1.68447200    1.66134500
 C                 -2.10706400   -3.35012100   -0.34550800
 C                 -1.86034700   -2.80092300    1.98176600
 C                 -2.37433400   -3.64997200    0.99522300
 H                 -2.50945500   -3.99041700   -1.12644900
 H                 -2.06762600   -3.01215900    3.02895500
 C                  2.90977700    1.43185700   -1.06144500
 C                  3.90872200    1.58478000   -0.08751800
 C                  3.12628000    1.76438000   -2.40818600
 C                  5.13982200    2.11384100   -0.48829500
 C                  4.37775300    2.27650900   -2.76546800
 C                  5.39256000    2.46603900   -1.81881500
 H                  5.92215100    2.24238600    0.25596500
 H                  4.56365400    2.53329000   -3.80634400
 C                  2.78021500   -3.39143700   -4.79332800
 H                  3.01731600   -2.45506800   -4.27192500
 H                  3.70230000   -3.98483700   -4.81465000
 H                  2.50289800   -3.15217400   -5.82478000
 C                  0.94918700   -5.49993100   -0.58528200
 H                  1.84954200   -6.10139100   -0.41122400
 H                  1.05989800   -4.58015800    0.00284300
 H                  0.08480100   -6.05405600   -0.20719600
 C                 -1.94950800   -5.21120300   -4.71796700
 H                 -2.41975000   -6.14517000   -4.38958600
 H                 -2.64610900   -4.39631400   -4.47582600
 H                 -1.85140800   -5.24167200   -5.80861500
 C                  5.16339300   -4.66976000    1.76578600
 H                  5.77384100   -5.49691000    1.38030000
 H                  5.15468800   -4.74389700    2.85745400
 H                  4.14289800   -4.82422000    1.40557400
 C                  5.75363900   -1.09217200   -1.78979800
 H                  5.93551500   -1.86782400   -2.54322100
 H                  4.70423200   -0.78721100   -1.89265900
 H                  6.39092100   -0.23225500   -2.01161400
 C                  7.76881800   -0.46243300    2.80006600
 H                  7.11842500    0.28662000    3.27230900
 H                  8.20539900   -1.06761200    3.60224600
 H                  8.57994900    0.08281000    2.30356900
 C                  3.66567700    1.14220300    1.33157900
 H                  2.77675700    1.62140600    1.76010900
 H                  3.48982800    0.05969400    1.35647000
 H                  4.52311000    1.37203500    1.97104600
 C                  2.04574000    1.53576400   -3.43461100
 H                  1.13416300    2.09870500   -3.19954200
 H                  2.38152400    1.83150200   -4.43346000
 H                  1.76656500    0.47474200   -3.46162100
 C                  6.74983800    2.98011300   -2.23598600
 H                  6.67300500    3.72422100   -3.03711900
 H                  7.28354000    3.43737200   -1.39546700
 H                  7.37784600    2.16177000   -2.61527100
 C                 -1.04577300   -1.95439500   -2.16542500
 H                 -1.17440600   -0.89037600   -2.39593500
 H                 -0.00331800   -2.20766100   -2.39869700
 H                 -1.70061000   -2.53580700   -2.81987600
 C                 -0.54364800   -0.78625100    2.74940500
 H                 -1.15367900    0.12011600    2.85842900
 H                 -0.54212900   -1.30412900    3.71332700
 H                  0.47913300   -0.46634700    2.53276800
 C                 -3.17259300   -4.87660900    1.36778200
 H                 -2.51767300   -5.75115800    1.48381000
 H                 -3.70198600   -4.74050700    2.31754400
 H                 -3.91119200   -5.12514600    0.59725800
 C                  2.26640200   -3.15728900    3.76602300
 C                  1.13551500   -3.75833500    4.32182000
 C                  3.40043200   -2.89254700    4.53616400
 C                  1.14676900   -4.10034700    5.67684000
 H                  0.26434300   -3.95112100    3.70314500
 C                  3.39806200   -3.24192900    5.88911100
 H                  4.26700200   -2.42357700    4.08043600
 C                  2.27462000   -3.84482200    6.46219800
 H                  0.26986000   -4.56845200    6.11658000
 H                  4.27830400   -3.03956900    6.49388600
 H                  2.27786800   -4.11386800    7.51484400
 Cl                 2.26477700   -2.71752900    2.04987600

  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
****
N Cl 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





