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

Ni_COD_2

0 1
28      -1.377755000      0.283229000      0.465966000
15      -0.528457000     -1.593932000     -0.312087000
6       -0.326323000     -2.658838000      2.244602000
1       -0.976804000     -1.826763000      2.502737000
6        0.901175000     -1.252011000     -1.456389000
6       -1.784012000     -3.951945000     -1.387940000
1       -1.101633000     -4.549642000     -0.793858000
6       -1.712084000     -2.552490000     -1.359516000
6        0.095593000     -2.809736000      0.914366000
6        0.689437000     -1.360566000     -2.860149000
1       -0.238662000     -1.779997000     -3.228863000
6        0.957878000     -3.865931000      0.583151000
1        1.311704000     -3.977089000     -0.437192000
6        3.106823000     -0.282867000     -1.917142000
6        2.103530000     -0.719007000     -0.983761000
6       -2.751495000     -4.593862000     -2.166070000
1       -2.802949000     -5.679232000     -2.169196000
6        2.860607000     -0.385521000     -3.324744000
6        1.633139000     -0.939692000     -3.764369000
1        1.446037000     -1.030308000     -4.831299000
6       -2.626721000     -1.810116000     -2.126852000
1       -2.599070000     -0.724921000     -2.082545000
6        0.954006000     -4.608001000      2.887075000
1        1.292928000     -5.301924000      3.651154000
6        0.100463000     -3.555183000      3.226547000
1       -0.226532000     -3.426470000      4.254558000
6        1.381788000     -4.761995000      1.565086000
1        2.058156000     -5.569793000      1.301531000
6        3.842919000      0.069531000     -4.246292000
1        3.633397000     -0.012311000     -5.309751000
6        5.284898000      0.701940000     -2.413631000
1        6.222971000      1.126155000     -2.066906000
6       -3.581001000     -2.451448000     -2.914969000
1       -4.284019000     -1.861342000     -3.495806000
6        5.032175000      0.602402000     -3.803708000
1        5.776848000      0.948286000     -4.514846000
6        4.350139000      0.272962000     -1.497538000
1        4.557635000      0.368805000     -0.438633000
6       -3.649520000     -3.847511000     -2.931599000
1       -4.403956000     -4.349371000     -3.530979000
15       0.468350000      1.453199000      0.715121000
6        0.207658000      2.493523000     -1.843256000
1       -0.794918000      2.081229000     -1.769875000
6        1.866647000      0.372623000      1.301178000
6        1.118612000      3.942115000      2.020383000
1        1.812293000      4.150527000      1.213784000
6        0.368464000      2.757342000      2.023927000
6        1.098481000      2.326511000     -0.772119000
6        2.238624000      0.431131000      2.674654000
1        1.813224000      1.198609000      3.310011000
6        2.404043000      2.830884000     -0.880244000
1        3.115299000      2.672664000     -0.075603000
6        3.355771000     -1.557625000      1.033600000
6        2.419279000     -0.615578000      0.482324000
6        0.967749000      4.879312000      3.045872000
1        1.547605000      5.797876000      3.022251000
6        3.700979000     -1.486813000      2.422351000
6        3.122107000     -0.467948000      3.218939000
1        3.388303000     -0.404343000      4.270904000
6       -0.524293000      2.525808000      3.083549000
1       -1.119301000      1.616537000      3.083491000
6        1.902529000      3.687555000     -3.087877000
1        2.216312000      4.214226000     -3.984782000
6        0.606733000      3.174737000     -2.994646000
1       -0.094527000      3.302910000     -3.813927000
6        2.801275000      3.511893000     -2.030923000
1        3.816323000      3.890164000     -2.109744000
6        4.607157000     -2.434653000      2.971528000
1        4.851000000     -2.366932000      4.028622000
6        4.832123000     -3.488924000      0.809018000
1        5.270438000     -4.267084000      0.190564000
6       -0.663427000      3.454058000      4.115959000
1       -1.358234000      3.257724000      4.927850000
6        5.163911000     -3.416625000      2.184033000
1        5.855471000     -4.136712000      2.611970000
6        3.953343000     -2.587379000      0.250508000
1        3.702773000     -2.667195000     -0.800296000
6        0.079102000      4.638034000      4.095859000
1       -0.036406000      5.368491000      4.891730000
1       -2.403358219      3.351145553      0.228577163
6       -1.972058910      2.506658497      0.775657390
1       -1.696751828      2.832631847      1.781482035
8       -3.084131699      2.250882140     -1.923723681
6       -2.888038000      1.347113000      0.819886000
6       -3.257802000      0.116777000      0.659076000
6       -4.372003000     -0.805815000      0.529927000
6       -5.599349000     -0.379775000     -0.017078000
6       -6.650962000     -1.279142000     -0.189816000
1       -7.587821000     -0.936133000     -0.621307000
6       -6.502556000     -2.618290000      0.186816000
1       -7.322092000     -3.318297000      0.049349000
1       -5.165026000     -4.092846000      1.021802000
6       -5.291228000     -3.052232000      0.735058000
6       -4.234944000     -2.157581000      0.898011000
1       -3.283749000     -2.495408000      1.298278000
1       -5.708758000      0.657433000     -0.321992000
6       -2.261340964      1.208354101     -2.104213493
8       -1.719846305      0.565314887     -1.228236421
8       -2.092421541      0.899678026     -3.396378706
6       -2.702079786      1.724781055     -4.412170139
1       -2.404440575      1.275830998     -5.360528919
1       -3.791015413      1.719669786     -4.318215527
1       -2.331557687      2.748297324     -4.351934882

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

Ni 0
SDD




