#
#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 "guesspsminG20_IRC_294.gbw" end

* xyz 1 1
  Au         -0.17663057106197     -3.34000405663822     -0.03210871238992
  C          -1.68500762686890     -0.99955610766977      1.04044766244134
  C          -1.36719787990881     -1.65031584170144     -0.08004032110403
  C          -2.35379503690531      0.82727039910132     -0.08591257545019
  C          -2.78065556484640      0.12962181283526      1.10169758567442
  H          -3.77122213083546     -0.30844512401960      1.00528988980390
  C          -1.81964125506082     -1.14746386220947     -1.40938257440123
  H          -2.32879344399596     -1.91519970474974     -1.99531278302262
  H          -0.93163117675475     -0.84857746054428     -1.97382771196586
  C          -2.73833562323904      0.14288891137734     -1.31952629281933
  P           1.15221679714254     -5.22536531793835      0.01601086216427
  C           2.33005400609158     -5.25630532095131      1.39195630003695
  C           0.22362391108504     -6.77345912933079      0.16870286744611
  H          -1.21054177432843     -1.17100204930275      2.00065842650489
  C           2.16954564599191     -5.44214713638982     -1.46704326898291
  H           2.82606042121157     -4.57813433125846     -1.58676996067762
  H           2.77324023041119     -6.34883100098026     -1.38258450357975
  H           1.52302142043876     -5.51617276342231     -2.34355569921267
  H           2.98929364152886     -4.38864566431228      1.32601770525935
  H           2.92729370244889     -6.17054030108568      1.35811730117737
  H           1.78559240077469     -5.21263996268173      2.33721673780672
  H          -0.36017591168566     -6.75786867241671      1.09101721464229
  H           0.90833008927482     -7.62471579566280      0.18553612727547
  H          -0.45904857062630     -6.87252336724948     -0.67744950933683
  H          -2.68710537756621      0.66483733263932      2.04024722166713
  H          -2.61509990734157      0.72454487877377     -2.22730545136844
  H          -3.77181994402485     -0.19192250023642     -1.22989411216506
  C          -1.43586053132610      1.96283729668311     -0.05927823415920
  C          -0.93724387579250      2.45291249496300      1.15287731527427
  C          -1.03018138297934      2.57074421268214     -1.24910451431124
  C          -0.04673941165789      3.50908609215440      1.18006617366974
  H          -1.22553700682138      2.00202363919311      2.09105197771129
  C          -0.14396757911729      3.63555745643648     -1.24020819312155
  H          -1.40726267583676      2.22849952710945     -2.20100485558181
  C           0.34189896407159      4.09011200563405     -0.02294570183335
  C           0.46572950518831      3.99942513798852      2.52242070997753
  C           0.27018916410887      4.24693852389809     -2.56712286259804
  N           1.29830379269235      5.22225077707978     -0.00313042011234
  F           0.33742379648257      3.05395076978250      3.46439968627482
  F          -0.21127377383010      5.07872648324528      2.94716721116883
  F           1.76722841522975      4.33352790103966      2.46774979286634
  F          -0.64647350665518      4.00640701176738     -3.51574987807875
  F           1.43594266494151      3.74050522959118     -3.00148452387909
  F           0.41472966671973      5.58101381189186     -2.48358416671372
  O           0.89518797051857      6.26801080200120      0.45263176287198
  O           2.40383033271392      5.00537896288339     -0.44474570484946
*

