%nprocshared=28
%mem=115GB
%chk=NidppfAsPh32_r_bb-m06
#p M06/genecp nosymm scf(maxcyc=400,XQC) gfinput gfprint pop=full sp scrf=(smd,solvent=benzene)

Ni(dppf)(AsPh3)2

0 1
 Ni                -0.02757300    0.08655600    0.05511900
 Fe                 2.30963400    2.98321000   -1.93241800
 P                  1.32479100    1.57144300    1.04603700
 P                  0.06726500    0.38608100   -2.16303600
 C                  2.60777000    2.39295700    0.01539100
 C                  0.73062300    1.98251000   -2.79019300
 C                 -1.52938000    0.27686400   -3.09824000
 C                 -2.39123500   -0.77762500   -2.76364600
 H                 -2.10294100   -1.47601200   -1.98722600
 C                 -3.62537600   -0.92193000   -3.39596300
 H                 -4.28203600   -1.73551600   -3.10226900
 C                 -4.02109500   -0.00113800   -4.36981000
 H                 -4.98992700   -0.09910300   -4.85274700
 C                 -3.16788700    1.04930300   -4.71773200
 H                 -3.46837400    1.76592600   -5.47824300
 C                 -1.92467400    1.18410800   -4.09374600
 H                 -1.26755300    2.00192200   -4.37376100
 C                  1.11139400   -0.74751300   -3.20815900
 C                  0.75520300   -1.16143100   -4.50195100
 H                 -0.17794800   -0.82634900   -4.94296400
 C                  1.59279300   -2.01115000   -5.22809600
 H                  1.29906300   -2.33046300   -6.22502300
 C                  2.80253500   -2.44882600   -4.68135500
 H                  3.44927700   -3.11301200   -5.24882000
 C                  3.17029100   -2.03497100   -3.39948000
 H                  4.09600400   -2.37901300   -2.94793700
 C                  2.32396300   -1.19655600   -2.67338200
 H                  2.58667300   -0.91187300   -1.66513200
 C                  0.31687000    3.28279700   -2.34353100
 H                 -0.44420100    3.48092400   -1.60540300
 C                  1.09655900    4.26506000   -3.01941300
 H                  1.04844900    5.33365400   -2.85471000
 C                  2.00040400    3.58664700   -3.89058200
 H                  2.76356700    4.04922900   -4.50316800
 C                  1.77146300    2.18627800   -3.75891300
 H                  2.32192100    1.40090100   -4.25686300
 C                  3.52379800    1.71698400   -0.85951300
 H                  3.58362000    0.64977700   -1.00362500
 C                  4.32078700    2.69261500   -1.52482000
 H                  5.06608600    2.49009400   -2.28300400
 C                  3.90859600    3.98128700   -1.07142000
 H                  4.28392200    4.93224400   -1.42706200
 C                  2.86396900    3.79984000   -0.11927500
 H                  2.31282300    4.58417500    0.37950800
 C                  0.61283300    3.10525900    1.82633600
 C                  1.11220600    3.68081000    3.00597600
 H                  1.95182400    3.22519300    3.52064600
 C                  0.53065100    4.83757000    3.52988200
 H                  0.92271000    5.26600800    4.44902600
 C                 -0.54650000    5.44513600    2.87846400
 H                 -0.99785000    6.34356100    3.29144000
 C                 -1.04407700    4.88614300    1.69965600
 H                 -1.89263500    5.33066700    1.18833900
 C                 -0.46843500    3.72287800    1.18777100
 H                 -0.88141700    3.26614100    0.30034100
 C                  2.34990600    0.95855900    2.46315800
 C                  1.70589100    0.14558600    3.40711300
 H                  0.65678100   -0.09248200    3.27787000
 C                  2.40423700   -0.38329600    4.49170500
 H                  1.88568900   -1.02692700    5.19611100
 C                  3.76717900   -0.11319100    4.64120800
 H                  4.32002900   -0.53801400    5.47507600
 C                  4.41823300    0.70230900    3.71191700
 H                  5.47736900    0.92004600    3.82611800
 C                  3.71351300    1.24430500    2.63364400
 H                  4.22757900    1.87996800    1.91907700
 C                  2.52747400   -2.68234000    0.24518400
 C                  2.86460900   -3.89394900   -0.37195700
 C                  3.55761200   -1.81425200    0.63559900
 C                  4.20364500   -4.22272600   -0.60467100
 H                  2.08567300   -4.58174800   -0.68495400
 C                  4.89455600   -2.14148500    0.40513300
 H                  3.31926600   -0.87770800    1.12441400
 C                  5.22226200   -3.34755400   -0.22146400
 H                  4.44779500   -5.16367600   -1.09171700
 H                  5.67537100   -1.45295800    0.71824300
 H                  6.26228200   -3.60385000   -0.40648900
 C                 -0.26116000   -3.62822600   -0.31531400
 C                 -0.80039100   -4.72072700    0.38004600
 C                 -0.42362500   -3.57228200   -1.70787500
 C                 -1.50341100   -5.71989600   -0.30072700
 H                 -0.68648400   -4.79109600    1.45720800
 C                 -1.11803500   -4.57286800   -2.38879400
 H                 -0.00455000   -2.74714200   -2.27067600
 C                 -1.66745200   -5.64791400   -1.68592200
 H                 -1.92026600   -6.55608200    0.25566000
 H                 -1.23310700   -4.50366300   -3.46739900
 H                 -2.21696300   -6.42374100   -2.21280900
 C                  0.52353200   -2.78399000    2.44634300
 C                  1.52926200   -3.53127400    3.07433400
 C                 -0.62994900   -2.46429200    3.17455700
 C                  1.38630300   -3.93316200    4.40529500
 H                  2.43389600   -3.79149200    2.53457500
 C                 -0.77536000   -2.86058600    4.50474900
 H                 -1.41723200   -1.88128800    2.71441400
 C                  0.23828700   -3.59505800    5.12616300
 H                  2.17963200   -4.50503300    4.88058000
 H                 -1.67216300   -2.57775700    5.04867300
 H                  0.13500300   -3.90079700    6.16427000
 C                 -3.20340000    2.08834200    0.39032600
 C                 -3.14740300    2.55962900   -0.92964100
 C                 -3.91782500    2.82897700    1.34082300
 C                 -3.77982200    3.74991800   -1.29138200
 H                 -2.61124800    1.99602700   -1.68319200
 C                 -4.55114400    4.02232800    0.98005000
 H                 -3.97401200    2.48640200    2.36903800
 C                 -4.48127200    4.48921500   -0.33424900
 H                 -3.72353700    4.09407200   -2.32102600
 H                 -5.09510900    4.58904600    1.73181500
 H                 -4.97144200    5.41895700   -0.61149200
 C                 -3.67986600   -0.84874000    0.27497300
 C                 -4.96044400   -0.43730000   -0.11881200
 C                 -3.38085000   -2.21742600    0.26452500
 C                 -5.91107400   -1.37663700   -0.52797400
 H                 -5.21859700    0.61669200   -0.12193700
 C                 -4.32595100   -3.15852300   -0.14611000
 H                 -2.39581800   -2.55866300    0.55564700
 C                 -5.59645800   -2.73771100   -0.54845000
 H                 -6.89734700   -1.04056300   -0.83878700
 H                 -4.05586600   -4.21060300   -0.16368400
 H                 -6.33539000   -3.46448200   -0.87647700
 C                 -2.57983200    0.37743200    2.77301500
 C                 -3.58053700   -0.40558700    3.36743200
 C                 -1.73945800    1.13564100    3.60222900
 C                 -3.72065700   -0.44425200    4.75842300
 H                 -4.24676400   -0.99934700    2.74955200
 C                 -1.88373600    1.10375300    4.98975500
 H                 -0.96847900    1.76044900    3.16831300
 C                 -2.87139700    0.30707400    5.57401200
 H                 -4.49781600   -1.06213800    5.20201300
 H                 -1.21719500    1.69773200    5.60971300
 H                 -2.97974500    0.27316000    6.65503000
 As                -2.24615100    0.40687200    0.81669400
 As                 0.65896500   -2.11759100    0.58516900

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