%nprocshared=24
%mem=120GB
#p opt freq=NoRaman B3LYP gen pseudo=read scrf=(smd,solvent=Dichloromethane) Empiricaldispersion=GD3

Ni_COD_2

0 1
28       1.298927329      0.216937425     -0.965877016
15       0.057087329      1.970580425     -0.162291016
6        1.016620329      1.661778425      2.431893984
1        1.738783329      1.001591425      1.962920984
6       -1.700247671      1.625468425     -0.658156016
6        0.741572329      4.741014425     -0.180494016
1        0.615747329      4.733867425      0.895611984
6        0.506128329      3.580931425     -0.933332016
6        0.047491329      2.292515425      1.638892984
6       -2.217822671      2.231019425     -1.837953016
1       -1.664473671      3.025836425     -2.321397016
6       -0.886134671      3.151860425      2.238853984
1       -1.650778671      3.629889425      1.634193984
6       -3.698843671      0.204794425     -0.570697016
6       -2.442611671      0.630619425     -0.017488016
6        1.155750329      5.919309425     -0.807152016
1        1.335953329      6.807758425     -0.208499016
6       -4.184152671      0.809739425     -1.775014016
6       -3.417684671      1.837639425     -2.378148016
1       -3.793840671      2.318904425     -3.277106016
6        0.720100329      3.620259425     -2.323450016
1        0.598793329      2.718427425     -2.912528016
6        0.121536329      2.747034425      4.400450984
1        0.145715329      2.919109425      5.472738984
6        1.050773329      1.887195425      3.809000984
1        1.799072329      1.388155425      4.418045984
6       -0.844960671      3.380543425      3.614158984
1       -1.576736671      4.038619425      4.072831984
6       -5.419421671      0.378263425     -2.330249016
1       -5.768624671      0.847435425     -3.246317016
6       -5.685334671     -1.210212575     -0.527797016
1       -6.268006671     -1.994708575     -0.053524016
6        1.121647329      4.800711425     -2.946790016
1        1.280741329      4.812386425     -4.021155016
6       -6.157596671     -0.610797575     -1.720919016
1       -7.100656671     -0.934934575     -2.151419016
6       -4.490536671     -0.814978575      0.031538984
1       -4.138836671     -1.294033575      0.937295984
6        1.340669329      5.954775425     -2.189945016
1        1.665074329      6.871303425     -2.674531016
15       0.047105329     -1.360107575     -0.076274016
6       -1.050280671     -1.699959575     -2.623857016
1       -0.293616671     -0.986004575     -2.934866016
6       -0.999223671     -0.917122575      1.391022984
6        0.856707329     -4.078988575      0.332397984
1        0.001764329     -4.388680575     -0.258450016
6        1.106183329     -2.719990575      0.563679984
6       -1.125657671     -2.089850575     -1.277970016
6       -0.683529671     -1.476575575      2.661470984
1        0.087371329     -2.231668575      2.740350984
6       -2.122272671     -2.992491575     -0.874566016
1       -2.207378671     -3.279636575      0.169139984
6       -2.704233671      0.468625425      2.474138984
6       -2.015594671      0.031904425      1.290586984
6        1.717304329     -5.047577575      0.856022984
1        1.519278329     -6.098682575      0.666316984
6       -2.341466671     -0.079038575      3.746676984
6       -1.332100671     -1.071024575      3.801062984
1       -1.069063671     -1.505169575      4.761940984
6        2.234062329     -2.344265575      1.313373984
1        2.449289329     -1.291664575      1.471391984
6       -2.939971671     -3.116059575     -3.148717016
1       -3.648707671     -3.509062575     -3.871956016
6       -1.956198671     -2.210969575     -3.554281016
1       -1.897182671     -1.896167575     -4.592084016
6       -3.019622671     -3.508186575     -1.809675016
1       -3.791824671     -4.201057575     -1.488899016
6       -2.987392671      0.387816425      4.923252984
1       -2.694095671     -0.036922575      5.879620984
6       -4.325114671      1.903659425      3.598560984
1       -5.089246671      2.674049425      3.548786984
6        3.080577329     -3.314211575      1.848947984
1        3.948576329     -3.009828575      2.426071984
6       -3.958839671      1.360409425      4.854093984
1       -4.445072671      1.714822425      5.758356984
6       -3.717383671      1.469497425      2.441249984
1       -4.002750671      1.907540425      1.492592984
6        2.824429329     -4.668820575      1.618620984
1        3.489646329     -5.425114575      2.025526984
1        2.304716329     -0.819905575     -2.959943016
6        2.310001329     -1.223190575     -1.940842016
1        1.879063329     -2.228098575     -1.945165016
8        2.633006927      2.421912387     -4.050456340
6        3.615541329     -1.192938575     -1.351808016
6        4.690429329     -1.085002575     -0.784043016
6        5.908035329     -0.854253575     -0.084328016
6        6.537687329      0.409859425     -0.159444016
6        7.716449329      0.650995425      0.543553984
1        8.188175329      1.627849425      0.476613984
6        8.291359329     -0.351399575      1.332867984
1        9.209851329     -0.157345575      1.879598984
1        8.117549329     -2.388971575      2.022684984
6        7.676347329     -1.604913575      1.412948984
6        6.498628329     -1.859610575      0.711618984
1        6.021456329     -2.833115575      0.773087984
1        6.083202329      1.190746425     -0.763070016
6        1.972691813      1.644396551     -3.362509190
8        0.937761190      0.977107506     -3.730643819
8        2.304894454      1.420568336     -2.037932412
6        3.525610650      2.015777146     -1.591711830
1        3.576115454      1.821708492     -0.518345997
1        4.390867983      1.567947794     -2.089554521
1        3.525707515      3.094766441     -1.773414610

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

Ni 0
SDD











