%nprocshared=24
%mem=115GB
%chk=NiCODdppf
#p SCRF(SMD,Solvent=Benzene) BP86/genecp EmpiricalDispersion=GD3 sp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full

Ni(COD)(dppf)

0 1
 Ni                -0.19151200    0.43460000   -0.00004900
 Fe                 2.53496700    3.04462600   -1.90877900
 P                  1.16905500    1.87499400    0.97367400
 P                  0.18245700    0.61448500   -2.16717900
 C                  2.64572300    2.49008400    0.06215200
 C                  0.93654900    2.15500600   -2.83330400
 C                 -1.28304600    0.39867900   -3.27728500
 C                 -1.70310500   -0.88210900   -3.67400300
 H                 -1.09582300   -1.74903100   -3.43082000
 C                 -2.89678900   -1.05695200   -4.37523600
 H                 -3.20228500   -2.05617100   -4.67522800
 C                 -3.69827600    0.04406600   -4.68527800
 H                 -4.62947400   -0.09194300   -5.22855500
 C                 -3.29300600    1.32160600   -4.29175300
 H                 -3.90713800    2.18593300   -4.53170500
 C                 -2.09714500    1.49718300   -3.59371000
 H                 -1.79378600    2.49749900   -3.29823800
 C                  1.36375800   -0.63700800   -2.87231900
 C                  1.47718500   -0.88821700   -4.24934600
 H                  0.82554300   -0.36883900   -4.94607900
 C                  2.41564500   -1.80176600   -4.73216200
 H                  2.49084400   -1.98360700   -5.80121600
 C                  3.25500600   -2.48186500   -3.84505100
 H                  3.98398600   -3.19440600   -4.22192400
 C                  3.14542600   -2.24844500   -2.47299000
 H                  3.78622500   -2.78009800   -1.77437900
 C                  2.20306700   -1.33576700   -1.99409000
 H                  2.10301600   -1.15740100   -0.92738100
 C                  0.59022500    3.47821600   -2.39023900
 H                 -0.15547200    3.71742000   -1.64843200
 C                  1.45241100    4.41468700   -3.02920500
 H                  1.46460400    5.48281700   -2.85617600
 C                  2.34213700    3.68726800   -3.87347800
 H                  3.15321300    4.10521200   -4.45570100
 C                  2.02589600    2.30247700   -3.76078000
 H                  2.55810200    1.49317700   -4.23865400
 C                  3.50375200    1.66459200   -0.74396400
 H                  3.39862700    0.60095600   -0.88986700
 C                  4.46557900    2.49569400   -1.38673600
 H                  5.21316900    2.16498600   -2.09579200
 C                  4.21706600    3.84271600   -0.99039900
 H                  4.74238400    4.71945400   -1.34657500
 C                  3.10625900    3.84324700   -0.09806900
 H                  2.64507200    4.71898800    0.33430600
 C                  0.40185300    3.50587600    1.43439400
 C                  0.99303100    4.39770700    2.34397200
 H                  1.91708400    4.12211000    2.84384200
 C                  0.40471200    5.63431700    2.61426800
 H                  0.87611900    6.31282300    3.32066900
 C                 -0.78628700    5.99957200    1.98016900
 H                 -1.24444900    6.96186700    2.19284800
 C                 -1.38824100    5.11871200    1.07978000
 H                 -2.31948700    5.38919800    0.58890900
 C                 -0.79796400    3.88108500    0.81496200
 H                 -1.26717100    3.18534000    0.12564300
 C                  1.91232200    1.35201300    2.58719200
 C                  1.20461400    1.51715100    3.78989300
 H                  0.26392000    2.06021900    3.79248000
 C                  1.69393500    0.98905200    4.98519600
 H                  1.13254500    1.13141000    5.90515700
 C                  2.89517900    0.27652500    4.99976100
 H                  3.27533900   -0.13728400    5.92982700
 C                  3.60405300    0.10064100    3.80922900
 H                  4.54228500   -0.44848500    3.80988200
 C                  3.11704100    0.63280600    2.61415900
 H                  3.68377700    0.49280300    1.69822700
 C                 -2.33934200    0.56516700    0.15643500
 H                 -2.62670000    1.46418600   -0.38949100
 C                 -1.81384100    0.71354500    1.43022500
 H                 -1.71378500    1.72294500    1.81693200
 C                 -1.78392100   -0.38957200    2.47980400
 H                 -2.66281700   -1.03213100    2.35479200
 H                 -1.88487200    0.06383600    3.47367900
 C                 -0.49029000   -1.24438800    2.45940700
 H                  0.25102900   -0.77542800    3.10986100
 H                 -0.69903100   -2.23472300    2.89778900
 C                  0.13230600   -1.39877000    1.08671600
 H                  1.21078200   -1.55910000    1.09494000
 C                 -0.56503900   -1.70982200   -0.07036200
 H                  0.00617100   -2.09679600   -0.90881300
 C                 -2.06313900   -1.98051700   -0.12602300
 H                 -2.37784400   -2.46261500    0.80653000
 H                 -2.26142100   -2.70998500   -0.92089600
 C                 -2.92657800   -0.71944700   -0.39219100
 H                 -3.04803600   -0.59694000   -1.47038100
 H                 -3.93978500   -0.87870700    0.01328200

Ni Fe P C H 0
6-311+G(d,p)
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