%nprocshared=32
%mem=120GB
#p opt freq=NoRaman B3LYP gen pseudo=read scrf=(smd,solvent=Dichloromethane) empiricaldispersion=gd3

Ni_COD_2

0 1
28       1.197565000     -0.591955000     -0.921671000
15       0.665121000      1.405011000     -0.105161000
6        1.568303000      0.385306000      2.340930000
1        1.960673000     -0.424993000      1.733274000
6       -1.074300000      2.000357000     -0.380970000
6        2.089480000      3.906339000      0.000372000
1        1.759534000      4.019509000      1.026969000
6        1.709097000      2.783782000     -0.748200000
6        0.874272000      1.440282000      1.725883000
6       -1.293068000      3.078262000     -1.283223000
1       -0.444972000      3.637830000     -1.660389000
6        0.343806000      2.465036000      2.525543000
1       -0.231074000      3.265668000      2.070321000
6       -3.495670000      1.626760000     -0.311651000
6       -2.169409000      1.287367000      0.116048000
6        2.918301000      4.880221000     -0.561600000
1        3.215663000      5.739864000      0.032618000
6       -3.688009000      2.694317000     -1.247413000
6       -2.556672000      3.415757000     -1.702920000
1       -2.700488000      4.237238000     -2.400032000
6        2.170257000      2.658057000     -2.068824000
1        1.904286000      1.772612000     -2.640342000
6        1.222741000      1.397009000      4.511821000
1        1.352249000      1.379434000      5.590289000
6        1.744300000      0.366813000      3.725956000
1        2.279679000     -0.458174000      4.186951000
6        0.522161000      2.445666000      3.909113000
1        0.097835000      3.238972000      4.517400000
6       -4.999566000      2.997465000     -1.703879000
1       -5.126203000      3.806497000     -2.418689000
6       -5.901503000      1.227271000     -0.325580000
1       -6.761280000      0.661924000      0.022682000
6        2.987720000      3.636719000     -2.633710000
1        3.341924000      3.521513000     -3.654137000
6       -6.085665000      2.280362000     -1.254971000
1       -7.083972000      2.517090000     -1.611694000
6       -4.642477000      0.909619000      0.133581000
1       -4.515308000      0.093531000      0.835502000
6        3.367569000      4.749083000     -1.877844000
1        4.017029000      5.505386000     -2.309634000
15      -0.827226000     -1.448585000     -0.918725000
6       -1.521302000      0.131100000     -3.122615000
1       -0.473724000      0.419724000     -3.093519000
6       -1.489827000     -1.071005000      0.767919000
6       -2.167370000     -3.973719000     -0.581636000
1       -2.819665000     -3.497361000      0.143334000
6       -1.126345000     -3.248651000     -1.180939000
6       -2.012782000     -0.756389000     -2.155485000
6       -1.213081000     -2.029973000      1.787331000
1       -0.740582000     -2.967478000      1.521090000
6       -3.365372000     -1.128066000     -2.190904000
1       -3.759409000     -1.820541000     -1.453794000
6       -2.313346000      0.462687000      2.492866000
6       -1.993032000      0.182131000      1.117591000
6       -2.366833000     -5.317978000     -0.903175000
1       -3.171038000     -5.870729000     -0.425300000
6       -2.059210000     -0.528093000      3.495576000
6       -1.490975000     -1.767918000      3.104774000
1       -1.268582000     -2.509913000      3.867381000
6       -0.305725000     -3.888306000     -2.121428000
1        0.498427000     -3.329668000     -2.591400000
6       -3.720802000      0.295437000     -4.115543000
1       -4.385970000      0.709457000     -4.868098000
6       -2.371943000      0.656583000     -4.097770000
1       -1.982051000      1.352225000     -4.835582000
6       -4.215084000     -0.600405000     -3.162294000
1       -5.264581000     -0.880075000     -3.169752000
6       -2.352264000     -0.242763000      4.855997000
1       -2.146687000     -1.006471000      5.601677000
6       -3.137362000      1.956739000      4.238697000
1       -3.551212000      2.917506000      4.531667000
6       -0.512861000     -5.228526000     -2.451241000
1        0.132301000     -5.710574000     -3.180604000
6       -2.883787000      0.973165000      5.224214000
1       -3.104989000      1.181922000      6.266993000
6       -2.856023000      1.710696000      2.912138000
1       -3.044802000      2.482132000      2.175598000
6       -1.540523000     -5.948694000     -1.836941000
1       -1.697723000     -6.994738000     -2.084780000
1        5.678259825     -2.431258375      0.653588485
6        4.885091177     -1.865217417      1.143195416
1        4.568120871     -2.386460895      2.050707065
8        3.691942184     -1.892407219      0.288283888
6        5.232223637     -0.438541238      1.398729083
6        5.534481384      0.803704814      1.621229250
6        5.872441570      2.192683958      1.870010956
6        6.072844892      2.650725532      3.188666147
6        6.434625972      3.974723286      3.435891583
1        6.592376731      4.306492053      4.458948539
6        6.592281533      4.873270236      2.376056139
1        6.875631606      5.904025987      2.570021888
1        6.511791643      5.121721988      0.233055578
6        6.387402827      4.433002094      1.064508896
6        6.042304591      3.106666102      0.811874115
1        5.901598733      2.765449513     -0.207579893
1        5.955092263      1.953126473      4.013445020
6        3.911576427     -1.620214897     -1.003894724
8        4.972162281     -1.702699573     -1.591854072
8        2.744951195     -1.258866325     -1.556526530
6        2.812801539     -0.946675568     -2.963518404
1        1.788057393     -0.723401745     -3.261476535
1        3.455498234     -0.079368909     -3.130505818
1        3.193454363     -1.799765216     -3.531773631

-H P O C 0
6-31g(d,p)
****
-Ni 0
SDD
F 1 1.0
3.130 1.0
****

Ni 0
SDD



