%nprocshared=24
%mem=115GB
%chk=NidppfAsPh3_bb_m06
#p M06/genecp sp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full SCRF(SMD,Solvent=Benzene)

Ni(dppf)(AsPh3) bb

0 1
 Ni                -0.31575200    0.83789800   -0.17955300
 Fe                 3.04801200    2.55550700   -1.63989700
 P                  0.88777700    2.18360500    0.99412100
 P                  0.17540600    0.83019900   -2.27637800
 C                  2.59988500    2.32291000    0.35759100
 C                  1.48886000    1.97564000   -2.85954300
 C                 -1.17532900    1.18941900   -3.48621300
 C                 -2.48779800    0.89211900   -3.08657500
 H                 -2.65472300    0.48456500   -2.09349100
 C                 -3.56104300    1.11585800   -3.95015500
 H                 -4.57065100    0.87235600   -3.62938100
 C                 -3.33642400    1.65642600   -5.21859500
 H                 -4.17151300    1.83688400   -5.89063800
 C                 -2.03556500    1.97448600   -5.61845500
 H                 -1.85785800    2.40479900   -6.60091600
 C                 -0.96064400    1.74381100   -4.75775900
 H                  0.04735800    2.00258000   -5.07068400
 C                  0.85404100   -0.79709800   -2.85098000
 C                  0.90954600   -1.18884400   -4.19669200
 H                  0.54122300   -0.52178400   -4.97081700
 C                  1.42137600   -2.43995200   -4.54825600
 H                  1.45261100   -2.73500800   -5.59415700
 C                  1.88642400   -3.31336000   -3.56082600
 H                  2.27915100   -4.28825000   -3.83808400
 C                  1.83361700   -2.93394300   -2.21735700
 H                  2.17293700   -3.60885700   -1.43639900
 C                  1.31706800   -1.68548400   -1.86766500
 H                  1.24216300   -1.40391300   -0.82120000
 C                  1.45936700    3.39433900   -2.63414600
 H                  0.66794100    3.93513900   -2.13429300
 C                  2.67688800    3.95421000   -3.11910600
 H                  2.96746200    4.99442000   -3.04983600
 C                  3.47511200    2.89095000   -3.63853700
 H                  4.47925300    2.98172500   -4.03240800
 C                  2.74356500    1.67523300   -3.48603800
 H                  3.08917700    0.68367900   -3.74386100
 C                  3.32841300    1.18601200   -0.13576600
 H                  2.94658400    0.17488200   -0.17886500
 C                  4.59364100    1.63322200   -0.61538600
 H                  5.34642400    1.01695200   -1.08924000
 C                  4.65830400    3.04769800   -0.43212300
 H                  5.46807700    3.69351800   -0.74669300
 C                  3.43651500    3.47296600    0.16906300
 H                  3.15520100    4.49312600    0.39040000
 C                  0.30627700    3.93539600    1.01990800
 C                  0.84636200    4.91028100    1.87179200
 H                  1.62972400    4.63612000    2.57353200
 C                  0.37521900    6.22366600    1.83005000
 H                  0.80194200    6.97265400    2.49234600
 C                 -0.64678000    6.57471500    0.94295500
 H                 -1.01351200    7.59745500    0.91354300
 C                 -1.20356400    5.60672200    0.10337100
 H                 -2.00647900    5.87166200   -0.57971500
 C                 -0.73154800    4.29311900    0.14591800
 H                 -1.16251500    3.52769900   -0.49700400
 C                  1.17744400    1.85348700    2.79270000
 C                  0.05323400    1.84658100    3.63660100
 H                 -0.91732000    2.12927800    3.24200600
 C                  0.15925700    1.44251200    4.96537700
 H                 -0.72805100    1.42928200    5.59254400
 C                  1.39565200    1.02970100    5.47481300
 H                  1.47874200    0.69919400    6.50679400
 C                  2.52065600    1.04223900    4.64882000
 H                  3.48631700    0.72974500    5.03892400
 C                  2.41533600    1.45511700    3.31630800
 H                  3.29665200    1.45217100    2.68228200
 C                 -2.52689900   -0.36396800    2.44697000
 C                 -3.14313500    0.89430400    2.51105300
 C                 -2.59538500   -1.21469300    3.55775600
 C                 -3.82061000    1.29631900    3.66343700
 H                 -3.05970900    1.57360600    1.66440000
 C                 -3.26441600   -0.80946800    4.71620800
 H                 -2.10889700   -2.18595900    3.52731100
 C                 -3.87764900    0.44473300    4.77102800
 H                 -4.28944300    2.27628400    3.70300500
 H                 -3.30318600   -1.47265900    5.57683400
 H                 -4.39478400    0.75936500    5.67382300
 C                 -2.80855900   -1.91975100   -0.15636400
 C                 -4.00423300   -2.39533400    0.39894500
 C                 -2.49935100   -2.23898700   -1.48787200
 C                 -4.87490000   -3.17623600   -0.36634700
 H                 -4.26017500   -2.15496100    1.42722100
 C                 -3.36300100   -3.03025500   -2.24709500
 H                 -1.58100400   -1.86432500   -1.93193800
 C                 -4.55525300   -3.49718900   -1.68806700
 H                 -5.80312800   -3.53493800    0.07189200
 H                 -3.10830900   -3.27027100   -3.27618600
 H                 -5.23475200   -4.10443700   -2.28063500
 C                 -0.24953500   -2.13264700    1.46581000
 C                 -0.16146600   -3.42334100    0.92837500
 C                  0.70508400   -1.71737300    2.40930500
 C                  0.86556300   -4.28458900    1.32840800
 H                 -0.88345100   -3.75736000    0.18917500
 C                  1.72460900   -2.58069500    2.81120900
 H                  0.65577800   -0.71886500    2.82968000
 C                  1.81095300   -3.86608500    2.26743000
 H                  0.92323400   -5.28418300    0.90420400
 H                  2.45290100   -2.24003000    3.54260500
 H                  2.60949000   -4.53681700    2.57404700
 As                -1.52162300   -0.78030100    0.80953900

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


















