%nprocshared=24
%mem=115GB
%chk=Nidppf_e2PhBr_bb
#p B3LYP/genecp EmpiricalDispersion=GD3 nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp SCRF(SMD,Solvent=Benzene)

Ni(dppf)(e2-PhBr) bb 

0 1
 C                 -1.61642400    0.48701400   -0.03068100
 C                 -3.03450000    0.62089500   -0.02975300
 C                 -3.58326300   -0.33129500    0.89882100
 C                 -2.47617700   -1.04968600    1.46492100
 C                 -1.27208200   -0.54789100    0.88932100
 H                 -0.92921600    1.03416400   -0.66238800
 H                 -3.61254200    1.27859500   -0.66393700
 H                 -2.55142600   -1.87635700    2.15662200
 H                 -0.27581100   -0.92664500    1.07724400
 C                 -1.49804000   -2.42483900   -1.97140400
 C                 -2.22229700   -3.27313100   -1.08151400
 C                 -2.43055900   -1.56477300   -2.62171600
 H                 -0.42301600   -2.40032700   -2.09367800
 C                 -3.60247000   -2.93125500   -1.17197800
 H                 -1.79585600   -4.00692500   -0.41031500
 C                 -3.74549300   -1.86683100   -2.12975300
 H                 -2.19066800   -0.77546100   -3.31991700
 H                 -4.40036300   -3.35659700   -0.57946900
 Fe                -2.53686400   -1.28767700   -0.58004100
 P                 -5.38632500   -0.55910600    1.11666100
 P                 -5.33110400   -1.01903400   -2.46990100
 C                 -5.52468700   -2.18666200    1.96280700
 C                 -4.95807800   -2.44418600    3.22098900
 C                 -6.24593800   -3.20203800    1.31837500
 C                 -5.08114100   -3.70526900    3.80524100
 H                 -4.43542600   -1.65145300    3.74915600
 C                 -6.36926100   -4.46444000    1.90279100
 H                 -6.72338000   -2.98641200    0.36573400
 C                 -5.78132500   -4.71882200    3.14369900
 H                 -4.63796900   -3.89553900    4.77923700
 H                 -6.93290400   -5.24197800    1.39446300
 H                 -5.87908200   -5.69946700    3.60181700
 C                 -5.78181700    0.64553200    2.45507900
 C                 -6.80411100    0.36959900    3.37698400
 C                 -5.19752900    1.92160300    2.45372200
 C                 -7.22801400    1.34774100    4.27749600
 H                 -7.28144200   -0.60443900    3.38115200
 C                 -5.62279200    2.89791500    3.35571100
 H                 -4.40635300    2.15594600    1.74774200
 C                 -6.64171300    2.61579900    4.26841500
 H                 -8.02222600    1.11819800    4.98294000
 H                 -5.15722200    3.88008600    3.34396200
 H                 -6.97599300    3.37766700    4.96749200
 C                 -6.14893900   -2.15582600   -3.67603800
 C                 -7.23409300   -1.66105600   -4.41968500
 C                 -5.78637700   -3.50176400   -3.82410900
 C                 -7.93479000   -2.49012300   -5.29300900
 H                 -7.52053400   -0.61875500   -4.32002200
 C                 -6.49553200   -4.33403600   -4.69501500
 H                 -4.94594900   -3.90353500   -3.26711700
 C                 -7.56985100   -3.83296100   -5.43048800
 H                 -8.76739300   -2.08933300   -5.86530800
 H                 -6.20091200   -5.37504800   -4.80035300
 H                 -8.11912900   -4.48158100   -6.10753700
 C                 -4.80836200    0.38419900   -3.54371100
 C                 -4.26215300    0.19245300   -4.82258400
 C                 -4.97427300    1.68949400   -3.05916600
 C                 -3.86283400    1.28722300   -5.58946900
 H                 -4.15550900   -0.81461200   -5.21694200
 C                 -4.57374800    2.78510700   -3.82718500
 H                 -5.44578500    1.84135300   -2.09232200
 C                 -4.01341600    2.58516800   -5.09013200
 H                 -3.43831400    1.12950000   -6.57751400
 H                 -4.71239500    3.79199500   -3.44252400
 H                 -3.70448700    3.43694500   -5.69037800
 Ni                -6.54223500   -0.36497000   -0.75046100
 C                 -8.18077200    2.66025200   -1.92455200
 C                 -8.07231200    2.83092900   -0.51337400
 C                 -8.34457000    1.40319100   -2.45296500
 C                 -8.16557200    1.75768100    0.34018000
 H                 -7.94426200    3.82827500   -0.09979500
 C                 -8.35917600    0.23875800   -1.61733500
 C                 -8.27426800    0.42525800   -0.18696400
 H                 -8.76950800   -0.68419900   -2.02026000
 H                 -8.49238000    1.27770600   -3.52312600
 H                 -8.13473700    1.89522900    1.41506600
 Br                -9.29960200   -0.87425200    0.96340800
 H                 -8.16250000    3.53042400   -2.57505200

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