%nprocshared=28
%mem=120GB
#p freq=NoRaman B3LYP gen pseudo=read scrf=(smd,solvent=Dichloromethane) empiricaldispersion=gd3

Ni_COD_2

0 1
29      -0.019774000      0.712091000      0.283435000
26      -0.311462000     -2.242186000     -2.666082000
15      -1.469310000      0.759307000     -1.382257000
6       -0.721272000     -0.229640000     -2.725806000
6        0.701233000     -0.473355000     -2.894041000
6        0.878984000     -1.275657000     -4.070328000
1        1.827483000     -1.645228000     -4.432720000
6       -0.402352000     -1.527909000     -4.628231000
1       -0.605869000     -2.143280000     -5.494345000
6       -1.379624000     -0.886594000     -3.814137000
1       -2.448818000     -0.925749000     -3.962484000
6       -0.855444000     -2.970474000     -0.800280000
1       -1.180068000     -2.355278000      0.023664000
6        0.501548000     -3.307481000     -1.082613000
1        1.361613000     -2.979098000     -0.515562000
6        0.527742000     -4.093428000     -2.276091000
1        1.411899000     -4.473361000     -2.771594000
6       -0.820737000     -4.243349000     -2.730661000
1       -1.134302000     -4.754839000     -3.631727000
6       -1.673937000     -3.547168000     -1.818900000
1       -2.746671000     -3.434394000     -1.906040000
8        3.034310000     -0.148713000     -2.590901000
6        1.801348000     -0.056114000     -2.032356000
7        1.742805000      0.373004000     -0.820801000
6        3.112958000      0.733227000     -0.404030000
6        4.002542000      0.069182000     -1.522031000
1        4.739902000      0.782036000     -1.894514000
1        3.203697000      1.822389000     -0.485647000
6       -1.757296000      2.393812000     -2.177231000
6       -1.077883000      2.791698000     -3.337563000
1       -0.416614000      2.098735000     -3.848753000
6       -1.245922000      4.083911000     -3.845282000
1       -0.716981000      4.378865000     -4.747500000
6       -2.090971000      4.988585000     -3.199118000
1       -2.220564000      5.992194000     -3.594263000
6       -2.769885000      4.596306000     -2.040255000
1       -3.429004000      5.294021000     -1.530902000
6       -2.603654000      3.309818000     -1.527109000
1       -3.127381000      3.023782000     -0.618085000
6       -3.149425000      0.053573000     -1.194765000
6       -3.427895000     -0.667504000     -0.024915000
1       -2.675281000     -0.740372000      0.753567000
6       -4.678424000     -1.265829000      0.146067000
1       -4.883970000     -1.821484000      1.054369000
6       -5.657588000     -1.138116000     -0.841276000
1       -6.630705000     -1.601903000     -0.704245000
6       -5.393718000     -0.397818000     -1.998885000
1       -6.160198000     -0.282070000     -2.760257000
6       -4.145860000      0.200400000     -2.173935000
1       -3.949234000      0.787798000     -3.066139000
6        3.433256000      0.334416000      1.017279000
6        4.331537000      1.103205000      1.765745000
6        2.854112000     -0.798149000      1.599664000
6        4.642541000      0.750213000      3.080927000
6        3.155201000     -1.147797000      2.916448000
6        4.050996000     -0.375195000      3.661633000
1        4.774989000      1.990535000      1.322263000
1        2.131367000     -1.374896000      1.035610000
1        5.337189000      1.358562000      3.653717000
1        2.682638000     -2.017747000      3.363773000
1        4.283147000     -0.645983000      4.687914000
6        4.668613000     -1.235349000     -1.150494000
6        5.892272000     -1.204449000     -0.468749000
6        4.065627000     -2.470047000     -1.416395000
6        6.492440000     -2.388264000     -0.039346000
6        4.668463000     -3.655964000     -0.989189000
6        5.879609000     -3.618768000     -0.295106000
1        6.367234000     -0.249304000     -0.261278000
1        3.129646000     -2.507385000     -1.962134000
1        7.438541000     -2.350392000      0.493207000
1        4.188636000     -4.607996000     -1.199427000
1        6.346743000     -4.540778000      0.039202000
1       -5.576642000     -4.290953000      2.459906000
6       -4.299468000     -2.931982000      3.547541000
6       -4.553903000     -3.990932000      2.670349000
6       -3.487191000     -4.650722000      2.054172000
1       -3.676048000     -5.463644000      1.358453000
6       -2.173533000     -4.260292000      2.323793000
1       -1.345487000     -4.770120000      1.837923000
1        0.194160000     -3.154938000      2.759633000
6       -0.485686000     -2.859083000      3.562321000
1       -0.180341000     -3.365020000      4.483301000
6       -1.913077000     -3.211935000      3.214558000
1       -2.788223000     -1.719090000      4.496149000
6       -2.985597000     -2.544769000      3.819134000
1       -5.124327000     -2.405758000      4.019845000
8       -0.307008000     -1.459286000      3.867234000
6       -0.226680000     -0.616353000      2.811608000
6        0.185406000      1.158477000      4.603750000
1       -0.129510000      2.183770000      4.826221000
1        1.262176000      1.079698000      4.811230000
1       -0.339559000      0.495751000      5.293739000
6       -0.161896000      0.794858000      3.172788000
7        0.393438000      1.567664000      2.104753000
6        1.064803000      2.643558000      2.336724000
1        1.316122000      2.936050000      3.356953000
6        1.568131000      3.532031000      1.280353000
6        0.881447000      3.728272000      0.069143000
1       -0.080611000      3.252613000     -0.079094000
1        0.865365000      4.687449000     -1.852381000
6        1.415351000      4.545857000     -0.926562000
6        2.640380000      5.190143000     -0.725009000
1        3.056967000      5.826500000     -1.500896000
6        3.315264000      5.031616000      0.490405000
1        4.259492000      5.541918000      0.659836000
6        2.777259000      4.220140000      1.489409000
1        3.304956000      4.092909000      2.430968000
8       -0.285806000     -1.049630000      1.649580000
1       -1.524584000      1.075048000      2.972906000
8       -2.705454000      1.255283000      2.677171000
6       -2.960763000      2.435761000      2.210434000
8       -1.982581000      3.342876000      2.536548000
8       -3.952518000      2.770140000      1.565172000
1       -2.079254000      4.678001000      0.926870000
6       -2.157071000      4.665503000      2.017800000
1       -3.126567000      5.080484000      2.309860000
1       -1.351165000      5.264069000      2.447072000

-H P N O C 0
6-31g(d,p)
****
-Cu 0
SDD
F 1 1.0
3.525 1.0
****
-Fe 0
SDD
F 1 1.0
2.462 1.0
****

Cu Fe 0
SDD




