%nprocshared=24
%mem=115GB
%chk=Nidppf2_open_ClCH2CH2Ph_2_r_bb
#p B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp SCRF(SMD,Solvent=Benzene)

C Cl

0 1
 Ni                -1.18570000    3.27316600    0.22288900
 Fe                -4.61603400    1.36748700    3.17433600
 Fe                 1.96929500    4.08082700   -2.07259200
 P                 -4.83922100    4.39793400    1.71441500
 P                 -2.49738200    1.54571500    0.32255500
 P                  0.83305200    3.03942800    0.98236100
 P                 -1.29159700    4.84591400   -1.25630000
 C                 -5.68758200    3.05356800    2.62454600
 C                 -6.23996100    1.87664100    2.00987300
 H                 -6.31418900    1.69459100    0.94866000
 C                 -6.64546300    0.98088700    3.03994800
 H                 -7.06426500   -0.00563100    2.88946200
 C                 -6.33621300    1.58199200    4.29719900
 H                 -6.47616900    1.13226100    5.27170200
 C                 -5.75286900    2.85896400    4.04348000
 H                 -5.37270600    3.54757200    4.78560300
 C                 -2.92975900    0.98575900    2.01835600
 C                 -2.60188000    1.77333100    3.16953200
 H                 -2.17934000    2.76650200    3.12195700
 C                 -2.94550100    1.04560700    4.34286600
 H                 -2.84396900    1.40107400    5.35949800
 C                 -3.50317500   -0.20310500    3.92930600
 H                 -3.91033800   -0.96527300    4.58153700
 C                 -3.50327600   -0.23851500    2.50310600
 H                 -3.88854700   -1.04209800    1.89153000
 C                  1.94294400    2.81629000   -0.45586700
 C                  3.27666100    3.29165100   -0.70060500
 H                  3.85873900    3.90627800   -0.02859800
 C                  3.66095500    2.89033700   -2.01466300
 H                  4.58915100    3.14729500   -2.50898100
 C                  2.57647200    2.16160400   -2.59053200
 H                  2.54115600    1.76099000   -3.59512400
 C                  1.52237700    2.11189100   -1.63498600
 H                  0.55294300    1.64983900   -1.76315600
 C                  0.27757800    5.27110700   -2.13008000
 C                  1.37308300    5.96234800   -1.50999900
 H                  1.39462600    6.31450000   -0.48777000
 C                  2.43897900    6.05494600   -2.45213200
 H                  3.41428600    6.48489000   -2.26386900
 C                  2.02059600    5.41307900   -3.65606000
 H                  2.62080700    5.27150300   -4.54560400
 C                  0.69021700    4.93567700   -3.46113600
 H                  0.10167800    4.38087100   -4.17789400
 C                 -4.66113100    5.68255800    3.03199300
 C                 -5.55623800    6.74514100    3.22420900
 H                 -6.45287500    6.81177400    2.61534900
 C                 -5.29503400    7.72688300    4.18308600
 H                 -5.99477100    8.54834300    4.31599600
 C                 -4.14230500    7.65600300    4.96985300
 H                 -3.94181400    8.42232000    5.71415400
 C                 -3.24709200    6.59724900    4.79314300
 H                 -2.34687600    6.52327700    5.39644000
 C                 -3.50107500    5.62621300    3.82394300
 H                 -2.78217100    4.82494600    3.67996900
 C                 -6.17941100    5.07887300    0.64123600
 C                 -5.77339100    5.88584700   -0.43554000
 H                 -4.72128900    6.12266900   -0.56059700
 C                 -6.70349500    6.37058400   -1.35456200
 H                 -6.36938400    6.99000100   -2.18316700
 C                 -8.05651600    6.04782100   -1.21757400
 H                 -8.78183000    6.41429300   -1.93943500
 C                 -8.47179700    5.24904600   -0.14949200
 H                 -9.52285200    4.99532200   -0.03620900
 C                 -7.54115400    4.77052400    0.77576600
 H                 -7.87266700    4.14088000    1.59589400
 C                 -1.54238400    0.11108000   -0.34902500
 C                 -1.56329500   -0.15915400   -1.72870600
 H                 -2.25837100    0.37477000   -2.37045700
 C                 -0.70839000   -1.11494900   -2.28009800
 H                 -0.74006300   -1.31277000   -3.34892300
 C                  0.18128100   -1.81742400   -1.46278700
 H                  0.84974800   -2.55891900   -1.89240400
 C                  0.20198200   -1.56199400   -0.08955600
 H                  0.89061900   -2.09700200    0.55844800
 C                 -0.65117700   -0.60608100    0.46373400
 H                 -0.61111100   -0.40884700    1.52962600
 C                 -4.09353800    1.36980700   -0.60198600
 C                 -4.75396300    0.14159000   -0.76827000
 H                 -4.29533400   -0.77350600   -0.40489300
 C                 -5.99248100    0.08557200   -1.40770300
 H                 -6.49682600   -0.87028700   -1.52712800
 C                 -6.58661600    1.25729700   -1.89303100
 H                 -7.55620800    1.21219100   -2.38251200
 C                 -5.92752600    2.47901600   -1.75376100
 H                 -6.37245400    3.39669200   -2.12609600
 C                 -4.68309500    2.52729800   -1.12041900
 H                 -4.16303700    3.47030600   -1.01691500
 C                  1.37642000    1.62223800    2.05975600
 C                  0.65007200    1.38079300    3.23693100
 H                 -0.15173100    2.05014300    3.52183000
 C                  0.91411200    0.26665500    4.03222900
 H                  0.31685500    0.09186800    4.92330300
 C                  1.92879400   -0.62645600    3.67057300
 H                  2.13403800   -1.50024900    4.28313700
 C                  2.67537500   -0.38457900    2.51549000
 H                  3.46901000   -1.06974200    2.22738300
 C                  2.39991000    0.72840400    1.71399200
 H                  2.97282800    0.88763400    0.80608100
 C                  1.60566400    4.45171600    1.89877900
 C                  0.83227600    5.60650800    2.08284100
 H                 -0.16634100    5.63831600    1.66066600
 C                  1.33521800    6.69713600    2.79551900
 H                  0.71897100    7.58289900    2.92659700
 C                  2.62082900    6.63876600    3.34046600
 H                  3.01335500    7.48101100    3.90462600
 C                  3.39731500    5.48775700    3.17417400
 H                  4.38284900    5.41986800    3.62469400
 C                  2.89077000    4.40097800    2.45962800
 H                  3.48521400    3.49726000    2.37194900
 C                 -1.82093100    6.53328500   -0.72095300
 C                 -1.70770900    7.67765100   -1.52673000
 H                 -1.30240000    7.59148200   -2.53149000
 C                 -2.10916400    8.92279500   -1.04071400
 H                 -2.02207900    9.80275500   -1.67317800
 C                 -2.61719500    9.04191700    0.25778600
 H                 -2.92682100   10.01444200    0.63183000
 C                 -2.72166000    7.91373100    1.07335000
 H                 -3.11459000    7.99181200    2.08264900
 C                 -2.32287600    6.66859000    0.58068000
 H                 -2.40671800    5.78187200    1.20016800
 C                 -2.37214700    4.46440100   -2.71289900
 C                 -2.18490400    3.20380000   -3.30805900
 H                 -1.39815400    2.55452300   -2.93340300
 C                 -3.01248000    2.76869400   -4.33980100
 H                 -2.85129700    1.79037800   -4.78583200
 C                 -4.06875600    3.57486500   -4.77686800
 H                 -4.73261500    3.22712100   -5.56362400
 C                 -4.27143500    4.82194300   -4.18619600
 H                 -5.09513800    5.45203900   -4.51262900
 C                 -3.42283400    5.27016200   -3.16865300
 H                 -3.59279000    6.24581300   -2.72542600
 Cl                -0.87093400    3.91493100    5.74144100
 C                  0.92722200    4.10782600    5.46042400
 H                  1.09012700    3.91646700    4.40251300
 H                  1.16395600    5.15242800    5.66669500
 C                  1.73365600    3.14894700    6.33469100
 H                  1.39199800    2.12686200    6.14607300
 H                  1.54504300    3.37313700    7.39081900
 C                  3.20712700    3.27993800    6.00589200
 C                  3.98149100    4.29101700    6.58965900
 C                  3.80476200    2.43238900    5.06333600
 C                  5.32358600    4.45472100    6.24211000
 H                  3.52811700    4.95462700    7.32326100
 C                  5.14654300    2.59251000    4.71423300
 H                  3.21513000    1.65152000    4.59346200
 C                  5.91048200    3.60526800    5.30009100
 H                  5.91108900    5.24185000    6.70770800
 H                  5.59244700    1.92408300    3.98211600
 H                  6.95587800    3.72868200    5.02972000
 
Ni Fe Cl P C H 0
6-311+G(d,p)
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