%nprocshared=24
%mem=120GB
#p freq=NoRaman B3LYP gen pseudo=read scrf=(smd,solvent=Dichloromethane) empiricaldispersion=gd3

Ni_COD_2

0 1
29      -0.016148000      0.649421000      0.343101000
26      -0.250436000     -2.142315000     -2.756998000
15      -1.416260000      0.831227000     -1.360272000
6       -0.655935000     -0.125857000     -2.720412000
6        0.767101000     -0.366534000     -2.880041000
6        0.959934000     -1.108712000     -4.092624000
1        1.912322000     -1.463322000     -4.459798000
6       -0.314434000     -1.328387000     -4.680193000
1       -0.507256000     -1.899027000     -5.578812000
6       -1.301362000     -0.725410000     -3.848477000
1       -2.368710000     -0.751072000     -4.013303000
6       -0.866197000     -2.982410000     -0.959426000
1       -1.247772000     -2.420242000     -0.121801000
6        0.513103000     -3.263483000     -1.188238000
1        1.332002000     -2.937388000     -0.562520000
6        0.624466000     -3.985106000     -2.416455000
1        1.543708000     -4.312083000     -2.884335000
6       -0.693216000     -4.150753000     -2.947414000
1       -0.944109000     -4.624090000     -3.887726000
6       -1.612882000     -3.528803000     -2.047179000
1       -2.682571000     -3.444625000     -2.185621000
8        3.092842000     -0.046242000     -2.528248000
6        1.852428000      0.006663000     -1.980910000
7        1.773334000      0.364948000     -0.747865000
6        3.133848000      0.714790000     -0.294592000
6        4.045524000      0.124511000     -1.437413000
1        4.778734000      0.864811000     -1.761126000
1        3.213665000      1.807846000     -0.312010000
6       -1.646994000      2.492666000     -2.121564000
6       -0.890852000      2.918208000     -3.223425000
1       -0.199404000      2.235740000     -3.707638000
6       -1.020179000      4.223388000     -3.708033000
1       -0.431326000      4.537794000     -4.565367000
6       -1.901678000      5.116899000     -3.096137000
1       -2.001332000      6.130722000     -3.473326000
6       -2.657476000      4.698795000     -1.995379000
1       -3.347829000      5.386143000     -1.514151000
6       -2.530652000      3.397917000     -1.507717000
1       -3.121660000      3.088885000     -0.650118000
6       -3.116476000      0.153039000     -1.258581000
6       -3.432639000     -0.652856000     -0.155237000
1       -2.694889000     -0.805334000      0.626250000
6       -4.696954000     -1.238486000     -0.056654000
1       -4.931462000     -1.860689000      0.800047000
6       -5.653709000     -1.012406000     -1.048612000
1       -6.638123000     -1.465375000     -0.967203000
6       -5.351615000     -0.189811000     -2.139149000
1       -6.099183000     -0.000407000     -2.904570000
6       -4.088715000      0.393595000     -2.243592000
1       -3.861523000      1.040596000     -3.085803000
6        3.458457000      0.235806000      1.100067000
6        4.417353000      0.922960000      1.854454000
6        2.844564000     -0.896958000      1.643548000
6        4.760926000      0.482741000      3.133744000
6        3.179298000     -1.333252000      2.926345000
6        4.140221000     -0.647718000      3.674536000
1        4.885698000      1.812878000      1.441735000
1        2.068126000     -1.403232000      1.081620000
1        5.504001000      1.026166000      3.711060000
1        2.675043000     -2.198388000      3.347631000
1        4.398486000     -0.986806000      4.673949000
6        4.721251000     -1.190918000     -1.127706000
6        5.961115000     -1.184499000     -0.475613000
6        4.107377000     -2.415543000     -1.415625000
6        6.567398000     -2.382719000     -0.097016000
6        4.716187000     -3.615486000     -1.040140000
6        5.944125000     -3.602848000     -0.374840000
1        6.444901000     -0.237613000     -0.251707000
1        3.158046000     -2.433490000     -1.938600000
1        7.526373000     -2.363770000      0.413061000
1        4.227936000     -4.559462000     -1.266531000
1        6.415757000     -4.536024000     -0.080085000
1       -6.071581000     -3.891014000      2.583955000
6       -4.559562000     -2.664555000      3.517931000
6       -5.007093000     -3.713816000      2.709756000
6       -4.076674000     -4.523557000      2.050518000
1       -4.415419000     -5.331043000      1.406785000
6       -2.709211000     -4.292548000      2.211748000
1       -1.987993000     -4.921645000      1.694819000
1       -0.207559000     -3.354794000      2.376991000
6       -0.770562000     -3.088370000      3.275524000
1       -0.448293000     -3.744797000      4.091003000
6       -2.255462000     -3.256322000      3.038836000
1       -2.842424000     -1.624569000      4.311583000
6       -3.190766000     -2.438806000      3.683690000
1       -5.275977000     -2.020468000      4.020839000
8       -0.406905000     -1.774132000      3.718807000
6       -0.258381000     -0.820077000      2.745349000
6        0.430959000      0.713678000      4.669984000
1        0.084622000      1.704064000      4.993796000
1        1.515903000      0.674097000      4.857065000
1       -0.042418000     -0.033608000      5.308294000
6        0.095608000      0.466077000      3.224583000
7        0.474327000      1.363715000      2.234386000
6        1.170630000      2.430237000      2.510003000
1        1.545232000      2.596744000      3.520459000
6        1.562970000      3.429055000      1.518473000
6        0.803753000      3.706100000      0.364141000
1       -0.142154000      3.198498000      0.219721000
1        0.630662000      4.837867000     -1.450795000
6        1.239777000      4.640892000     -0.573314000
6        2.439798000      5.333088000     -0.375581000
1        2.778912000      6.062506000     -1.105926000
6        3.188598000      5.093777000      0.782264000
1        4.115529000      5.635291000      0.952582000
6        2.751058000      4.161264000      1.722431000
1        3.340634000      3.973942000      2.616567000
8       -0.435967000     -1.135722000      1.539912000
1       -1.789549000      1.009142000      2.839651000
8       -2.729163000      1.136348000      2.532316000
6       -2.961133000      2.383683000      2.135995000
8       -1.945005000      3.206985000      2.453265000
8       -3.985962000      2.726878000      1.578995000
1       -2.114210000      4.690531000      0.986820000
6       -2.112412000      4.586880000      2.073883000
1       -3.043247000      4.986819000      2.484035000
1       -1.254752000      5.110080000      2.495527000

-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




