%nprocshared=24
%mem=115GB
%chk=NidppfPC6H4F3_bb_m06
#p M06/genecp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp SCRF(SMD,Solvent=Benzene)

Ni(dppf)(P(C6H4F)3) bb 

0 1
 Ni                -0.19722000    0.64306500   -0.17433400
 Fe                 2.77462700    2.83805300   -1.87749900
 P                  1.19565100    1.84000900    0.96827200
 P                  0.03807600    0.85174600   -2.32457400
 C                  2.75079000    2.23577500    0.08530800
 C                  1.07913500    2.26369200   -2.89399500
 C                 -1.44706900    1.03398400   -3.42285900
 C                 -2.07365800   -0.09037900   -3.98621900
 H                 -1.63435600   -1.07462900   -3.86072100
 C                 -3.26487200    0.03964500   -4.70195500
 H                 -3.72755700   -0.84308400   -5.13695100
 C                 -3.85684800    1.29405600   -4.86462900
 H                 -4.78443800    1.39472800   -5.42158700
 C                 -3.24337300    2.41885600   -4.30850400
 H                 -3.69063200    3.40168600   -4.43409800
 C                 -2.05070300    2.29035600   -3.59485500
 H                 -1.58359600    3.17799600   -3.17882600
 C                  0.91250400   -0.58940700   -3.08408600
 C                  1.10710200   -0.72804500   -4.46777900
 H                  0.70975200    0.02332800   -5.14445000
 C                  1.79136900   -1.83090100   -4.98028800
 H                  1.93412500   -1.92697800   -6.05353300
 C                  2.28685700   -2.81290800   -4.11704900
 H                  2.81775300   -3.67216900   -4.51822900
 C                  2.08595700   -2.69317500   -2.74060000
 H                  2.45481900   -3.46025900   -2.06477700
 C                  1.39824700   -1.58997700   -2.23066700
 H                  1.21505500   -1.49975300   -1.16326700
 C                  0.93910000    3.59669600   -2.37181200
 H                  0.22388700    3.90796300   -1.62445900
 C                  1.95707900    4.41864900   -2.93634500
 H                  2.13449300    5.45938000   -2.69890800
 C                  2.74572100    3.60597700   -3.80310800
 H                  3.63176100    3.91975900   -4.33985000
 C                  2.20767400    2.28509100   -3.78199500
 H                  2.62002000    1.42782200   -4.29407700
 C                  3.43123800    1.26986500   -0.73470400
 H                  3.10460800    0.25198100   -0.90103200
 C                  4.54776400    1.90630900   -1.35026800
 H                  5.22448800    1.45108800   -2.06145300
 C                  4.56603100    3.26931400   -0.92599500
 H                  5.25884900    4.03039300   -1.26124200
 C                  3.46732700    3.47258600   -0.03902100
 H                  3.17883200    4.41014700    0.41555000
 C                  0.54860300    3.50804800    1.43641400
 C                  1.18749400    4.34210300    2.36609100
 H                  2.10084600    4.00648300    2.84983100
 C                  0.64930100    5.59070700    2.68257000
 H                  1.15375300    6.22949500    3.40298000
 C                 -0.53953200    6.01648600    2.08240900
 H                 -0.95914000    6.98668900    2.33489000
 C                 -1.19258500    5.18734000    1.16737300
 H                 -2.12394200    5.50638200    0.70680400
 C                 -0.65052400    3.94036100    0.84911100
 H                 -1.15843400    3.27991700    0.14875100
 C                  1.83456700    1.23302500    2.59841400
 C                  0.89754700    0.97069600    3.61273900
 H                 -0.15567300    1.17252000    3.43875700
 C                  1.29770900    0.42700800    4.83000000
 H                  0.55676500    0.22168100    5.59761800
 C                  2.64369900    0.11766600    5.05177600
 H                  2.95358600   -0.32670800    5.99371200
 C                  3.58215300    0.37078400    4.05154500
 H                  4.63083500    0.13542300    4.21591200
 C                  3.18232600    0.92998200    2.83327400
 H                  3.92382000    1.12540900    2.06452100
 P                 -1.42463400   -0.81587800    0.84044900
 C                 -2.86641100   -0.09525300    1.74975700
 C                 -2.76495400    1.23871500    2.17679400
 C                 -4.04598900   -0.80314300    2.03041600
 C                 -3.79726600    1.85251800    2.88425800
 H                 -1.86925900    1.80247600    1.93806800
 C                 -5.09021100   -0.20343700    2.73573200
 H                 -4.15572400   -1.82899000    1.69086700
 C                 -4.94539200    1.11548200    3.15411000
 H                 -3.72725400    2.88416800    3.21356900
 H                 -6.00845800   -0.73647700    2.96008600
 C                 -2.24859700   -2.16998800   -0.11600100
 C                 -2.95170900   -1.77899200   -1.26777500
 C                 -2.19011100   -3.53259200    0.20744100
 C                 -3.59409500   -2.71475200   -2.07317900
 H                 -2.97872900   -0.72947100   -1.54552400
 C                 -2.81638700   -4.48696700   -0.59980100
 H                 -1.65330900   -3.85931600    1.09264200
 C                 -3.51092000   -4.06031200   -1.72466900
 H                 -4.13655200   -2.41873900   -2.96502700
 H                 -2.77411300   -5.54630400   -0.36789200
 C                 -0.52253900   -1.74986300    2.15876500
 C                 -1.11666600   -2.24073600    3.33042000
 C                  0.86170800   -1.91541400    1.98804900
 C                 -0.35100400   -2.87536500    4.31055300
 H                 -2.18257400   -2.11447800    3.49436900
 C                  1.63871100   -2.55835500    2.94707500
 H                  1.33878700   -1.48653300    1.11145600
 C                  1.01557500   -3.01944300    4.10121300
 H                 -0.79278700   -3.24653100    5.22966500
 H                  2.71260500   -2.66132700    2.83925600
 F                  1.76440400   -3.61036400    5.05641100
 F                 -4.11816200   -4.97768600   -2.50817500
 F                 -5.95458100    1.69925700    3.83346100

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




























