#
#Single point
#
! wb97x-d3bj def2-TZVPPD def2/J defgrid3 verytightscf
%pal nprocs 8 end
%maxcore 4000
%cpcm smd true
smdsolvent "dichloromethane"
end
%scf guess moread
moinp "guesspsminG15_IRC_331.gbw" end

* xyz 1 1
  Au         -0.04270361523171     -2.11463756914798      0.18076673443065
  C           1.52301047640877      0.30433037071384      0.95420057951241
  C           0.32282996738594     -0.26745736759358      1.03443820200960
  C           0.62770822404209      2.37188377413092      1.63327018687425
  C           1.90353743487733      1.66405862253804      1.62561194870698
  H           2.25373581744221      1.47685324572696      2.64183794765238
  C          -0.81058535052787      0.43655390305245      1.71538036893823
  H          -1.31952928604597     -0.21120834013588      2.43200110952652
  H          -1.55187346866701      0.73614510197777      0.96844722439400
  C          -0.36209883748263      1.73581337818045      2.49866630983220
  P          -0.43233725221015     -4.17726677880184     -0.77696459646227
  C           0.68026173767849     -4.56823549269166     -2.15299201324876
  C          -0.24844453483453     -5.56948187173795      0.36866568934895
  H           2.34743875417191     -0.12367995269558      0.39275457863681
  C          -2.09622894658994     -4.37216742344169     -1.46797803788703
  H          -2.26163347423630     -3.61481458781062     -2.23669332790041
  H          -2.21036111550373     -5.36642695798884     -1.90639165388536
  H          -2.83654307198475     -4.23660614515941     -0.67714274027328
  H           0.56794767763181     -3.81552835096062     -2.93576200125282
  H           0.44749168177887     -5.55474132718541     -2.56087369752835
  H           1.71331794428807     -4.55533255615490     -1.80014826668524
  H           0.76568506549609     -5.57630556517021      0.77281326264546
  H          -0.44106850208424     -6.51330127129150     -0.14702960622207
  H          -0.95388992659272     -5.45552909825902      1.19400144303889
  H           2.69064738655858      2.13709897525524      1.04739238521816
  H          -1.23585519607769      2.34005443301874      2.72323745564395
  H           0.11817390510293      1.41089575003468      3.42143635442863
  C           0.29862232826126      3.42302027428298      0.71241426277597
  C          -1.01842313902287      3.91944576116315      0.65437560960638
  C           1.27716549466233      3.94638716838333     -0.15536459441304
  C          -1.33296469984780      4.89772719437477     -0.25385921346683
  H          -1.80303922579241      3.55456217048905      1.30192957674374
  C           0.93103617483651      4.92520447325061     -1.05103622991210
  H           2.30289550796258      3.60653915958988     -0.14335332104537
  C          -0.36985059072270      5.41208308572423     -1.11397333193220
  F          -2.57536319605871      5.38655598706190     -0.33583003218661
  F          -0.68591645312768      6.36094136895647     -1.97920362902977
  F           1.83657930405562      5.44260845832122     -1.88860993663266
*

