%nprocshared=24
%mem=115GB
%chk=NidppfFcPPh2_i1_bb_m06
#p M06/genecp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp scrf(smd,solvent=Benzene)

Ni(dppf)(FcPPh2) isomer 1 bb

0 1
 Ni                 3.40697100   19.85696700    6.24787700
 Fe                 1.24925100   18.32223500    9.47428700
 Fe                 6.53525100   20.85679100    4.07220500
 P                  2.04206600   18.18163400    6.18554000
 P                  5.40208900   19.72184400    7.08313000
 P                  3.26908100   21.52472000    4.88333200
 C                  1.93747700   20.26347000    9.35564200
 C                  0.54132300   20.21165000    9.05460700
 H                  0.08453400   20.46742400    8.10798800
 C                 -0.13600100   19.67733300   10.19302600
 H                 -1.19651600   19.47391500   10.26304800
 C                  0.84091100   19.39486600   11.19559500
 C                  2.12215900   19.75655800   10.67657300
 H                  3.07333700   19.61893200   11.17330400
 C                  1.66269800   17.28958900    7.74286400
 C                  2.64457900   17.00482500    8.75132800
 H                  3.69324900   17.24836500    8.69262400
 C                  1.98489900   16.42831800    9.87404400
 H                  2.45725100   16.14741100   10.80621600
 C                  0.58992500   16.36198000    9.58063700
 H                 -0.18783400   16.02199100   10.25246500
 C                  0.38816200   16.88701700    8.27058600
 H                 -0.56470900   17.01663400    7.77788000
 C                  6.52480500   19.53308100    5.64814400
 C                  7.85330000   20.02579000    5.41741100
 H                  8.43411800   20.61850300    6.10968800
 C                  8.23710100   19.67522900    4.08947900
 H                  9.16378700   19.95403400    3.60430700
 C                  7.15589500   18.96317300    3.48732600
 H                  7.12123200   18.59947000    2.46884400
 C                  6.10278800   18.87347400    4.44135600
 H                  5.12989500   18.42365500    4.29323600
 C                  4.83069400   22.03662200    4.04535200
 C                  5.92158100   22.71998100    4.68400200
 H                  5.94088900   23.05024600    5.71271300
 C                  6.98634000   22.84557100    3.74428300
 H                  7.95714700   23.28049100    3.94381900
 C                  6.57390500   22.23107800    2.52446800
 H                  7.17503400   22.11729100    1.63166100
 C                  5.24811200   21.73754900    2.70658300
 H                  4.66467100   21.19591200    1.97569600
 C                  2.77975200   16.86438100    5.10675500
 C                  2.45876800   16.75209500    3.74426900
 H                  1.64815600   17.34226800    3.33035000
 C                  3.17210100   15.88564300    2.91200700
 H                  2.90707500   15.81337400    1.85981600
 C                  4.21535700   15.11289700    3.42596200
 H                  4.77116000   14.44085200    2.77755800
 C                  4.53429300   15.20796100    4.78344500
 H                  5.34036300   14.60809200    5.19882900
 C                  3.82646100   16.07641100    5.61382400
 H                  4.10069000   16.14778000    6.66016400
 C                  0.34344900   18.38870700    5.47980400
 C                 -0.47153500   17.30940500    5.10168200
 H                 -0.10463500   16.29278300    5.21543400
 C                 -1.74219800   17.53342100    4.57024200
 H                 -2.36223300   16.68989000    4.27719500
 C                 -2.21555300   18.83978000    4.41109700
 H                 -3.20276100   19.01285500    3.99036000
 C                 -1.41383600   19.91941500    4.78498700
 H                 -1.76647900   20.93802800    4.64881200
 C                 -0.14244400   19.69107800    5.31450000
 H                  0.49801100   20.52482700    5.58366200
 C                  5.97031200   18.35492800    8.19683000
 C                  5.77057700   18.45684500    9.58480700
 H                  5.40573300   19.38858200   10.00889100
 C                  6.02513600   17.37287800   10.42503500
 H                  5.86392900   17.47207200   11.49563800
 C                  6.48076300   16.16299900    9.89343400
 H                  6.67328800   15.31607200   10.54635100
 C                  6.69202500   16.05324600    8.51698600
 H                  7.05536800   15.11943300    8.09494700
 C                  6.44271500   17.13979900    7.67564000
 H                  6.60461600   17.03916600    6.60650600
 C                  6.07476600   21.18675400    7.99337800
 C                  5.24582200   22.30845500    8.12826400
 H                  4.24701100   22.27744600    7.70643700
 C                  5.69712600   23.45917900    8.77884100
 H                  5.03850700   24.31923000    8.86679500
 C                  6.98773400   23.49601100    9.31040800
 H                  7.34501000   24.38917900    9.81632200
 C                  7.81663600   22.37427500    9.20248100
 H                  8.81698600   22.39443600    9.62755100
 C                  7.36064300   21.22461500    8.55615700
 H                  7.99945000   20.34741300    8.50054700
 C                  2.66218800   23.12514900    5.57593200
 C                  2.97410800   24.38492700    5.04342800
 H                  3.60017000   24.45631600    4.15863600
 C                  2.49366300   25.54629600    5.65205100
 H                  2.74492400   26.51772000    5.23376800
 C                  1.69502300   25.46343300    6.79643200
 H                  1.32733700   26.37002700    7.26992500
 C                  1.37654900   24.21335700    7.33317000
 H                  0.76378600   24.13829600    8.22764300
 C                  1.86066700   23.05397900    6.72610200
 H                  1.64097600   22.07950600    7.15298300
 C                  2.18078300   21.26580200    3.40637500
 C                  2.31698300   20.03842300    2.73783400
 H                  3.06080900   19.32645300    3.08419200
 C                  1.49204900   19.71512700    1.66261100
 H                  1.61429000   18.76054700    1.15663800
 C                  0.49482600   20.60608300    1.25406700
 H                 -0.16378100   20.34844400    0.42898900
 C                  0.34575800   21.82457700    1.91760600
 H                 -0.42883400   22.52158000    1.60727500
 C                  1.18867500   22.15850100    2.98207100
 H                  1.06184500   23.11140400    3.48679900
 H                  2.72515300   20.55400000    8.67119700
 H                  0.65017000   18.94069600   12.15914400

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