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

Ni_COD_2

0 1
28       1.113835000      0.278297000     -0.288261000
15      -0.029777000     -1.495952000      0.270573000
6       -0.309870000     -2.186080000     -2.406062000
1        0.463757000     -1.437885000     -2.557572000
6       -1.406285000     -0.996840000      1.415233000
6        0.772970000     -4.114159000      1.111691000
1        0.035554000     -4.521967000      0.429914000
6        0.940265000     -2.728314000      1.236049000
6       -0.787170000     -2.429227000     -1.108834000
6       -1.230750000     -1.220425000      2.810616000
1       -0.380735000     -1.793572000      3.159017000
6       -1.804227000     -3.376062000     -0.912105000
1       -2.200096000     -3.549902000      0.083492000
6       -3.453037000      0.254459000      1.920738000
6       -2.510434000     -0.267097000      0.968230000
6        1.575220000     -4.987987000      1.849792000
1        1.443531000     -6.060363000      1.736180000
6       -3.245594000      0.029991000      3.320269000
6       -2.118425000     -0.722928000      3.732132000
1       -1.963425000     -0.905315000      4.792264000
6        1.922748000     -2.234270000      2.110645000
1        2.080356000     -1.162221000      2.187956000
6       -1.841978000     -3.836652000     -3.287721000
1       -2.255957000     -4.379808000     -4.132417000
6       -0.835624000     -2.889066000     -3.491483000
1       -0.464739000     -2.691846000     -4.493117000
6       -2.325283000     -4.078685000     -1.998515000
1       -3.119540000     -4.802005000     -1.840535000
6       -4.164608000      0.566471000      4.262792000
1       -3.985970000      0.388699000      5.320013000
6       -5.468758000      1.517644000      2.464193000
1       -6.328385000      2.097066000      2.139780000
6        2.713654000     -3.107698000      2.855053000
1        3.474113000     -2.709950000      3.520531000
6       -5.255402000      1.295162000      3.846564000
1       -5.952759000      1.701916000      4.573212000
6       -4.593115000      1.013714000      1.528322000
1       -4.767859000      1.205594000      0.476704000
6        2.544195000     -4.488748000      2.722116000
1        3.170809000     -5.171225000      3.289222000
15      -0.552261000      1.736870000     -0.525878000
6       -0.197972000      2.600807000      2.083888000
1        0.738163000      2.052784000      2.009132000
6       -2.067946000      0.927478000     -1.224364000
6       -0.564685000      4.363844000     -1.675302000
1       -1.191932000      4.684188000     -0.850576000
6       -0.129105000      3.034726000     -1.761944000
6       -1.072712000      2.624737000      0.986093000
6       -2.403862000      1.158795000     -2.587919000
1       -1.858092000      1.902014000     -3.156201000
6       -2.292097000      3.311808000      1.086937000
1       -2.986550000      3.313171000      0.252596000
6       -3.840439000     -0.760246000     -1.115235000
6       -2.781124000     -0.019683000     -0.487904000
6       -0.181228000      5.292616000     -2.646707000
1       -0.518340000      6.322239000     -2.566004000
6       -4.146165000     -0.526862000     -2.495358000
6       -3.408304000      0.453545000     -3.204114000
1       -3.647554000      0.642863000     -4.247275000
6        0.697005000      2.651738000     -2.833958000
1        1.057561000      1.627177000     -2.891588000
6       -1.750211000      3.948071000      3.358442000
1       -2.017516000      4.456774000      4.280332000
6       -0.536639000      3.261533000      3.265849000
1        0.142045000      3.233638000      4.113471000
6       -2.625789000      3.973566000      2.268882000
1       -3.575682000      4.494289000      2.344765000
6       -5.173507000     -1.281775000     -3.124406000
1       -5.386775000     -1.094506000     -4.173536000
6       -5.588641000     -2.460839000     -1.055461000
1       -6.148107000     -3.212177000     -0.505516000
6        1.069659000      3.578291000     -3.807239000
1        1.710266000      3.270063000     -4.628515000
6       -5.881744000     -2.230005000     -2.421912000
1       -6.664447000     -2.802901000     -2.910712000
6       -4.597015000     -1.747031000     -0.419946000
1       -4.379907000     -1.945523000      0.622718000
6        0.631362000      4.902951000     -3.713491000
1        0.929404000      5.628891000     -4.464593000
1        2.670770000      2.931447000     -1.056251000
6        2.960593000      2.297874000     -0.227820000
1        2.959380000      2.731453000      0.764351000
8        5.467897000      1.747806000      1.310654000
6        3.027814000      0.952012000     -0.371104000
6        2.928431000     -0.330441000     -0.424796000
6        3.803087000     -1.494302000     -0.455271000
6        5.083851000     -1.423114000      0.128541000
6        5.910022000     -2.545760000      0.138260000
1        6.894431000     -2.484485000      0.595026000
6        5.476902000     -3.748438000     -0.431176000
1        6.122416000     -4.622451000     -0.417131000
1        3.864094000     -4.755830000     -1.453165000
6        4.208588000     -3.823370000     -1.014523000
6        3.375316000     -2.705338000     -1.023740000
1        2.383271000     -2.763652000     -1.460033000
1        5.403746000     -0.486176000      0.579106000
6        5.747270000      2.413624000      0.297556000
8        4.988153000      3.100609000     -0.451935000
8        7.071658000      2.451481000     -0.140950000
6        8.000376000      1.716118000      0.651298000
1        8.987048000      1.899454000      0.215563000
1        7.995938000      2.044238000      1.696636000
1        7.791748000      0.639748000      0.630872000

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

Ni 0
SDD




