#
#Opt
#
! optts freq wb97x-d3bj def2-tzvp(-f) def2/J tightopt verytightscf
%pal nprocs 8 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%geom calc_hess true
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -2.48321728857021     -0.68305218843403      0.07467455698906
  H          -2.42744970613141     -1.60127243525772     -0.52472244010143
  H          -3.45362410558770     -0.21569814930984     -0.17951726417688
  C          -1.38831366929481      0.30907805237605     -0.26204893566098
  C          -1.20935159690926      1.26703982923878      0.68350459026831
  H          -0.36153566669114      1.95827367799181      0.70044025601410
  C          -2.21716317987645      1.42073885821244      1.84104010057144
  H          -1.97466085995374      2.28242363156227      2.46670179845892
  H          -3.25623287870570      1.44689324868286      1.48669803009928
  C          -1.77231169619388      0.11835139710570      2.30968067167669
  C          -2.38681491950190     -1.02751163506045      1.56745482292019
  H          -1.82350282272445     -1.95646777375759      1.71127735321268
  H          -3.38063869191831     -1.18718637338078      2.02497528252412
  Au         -0.27863707508807      0.20729425501897     -1.98945040739309
  P           0.99442726044440      0.09690257430376     -3.95386451575580
  C           0.18766736671143      0.86309736141525     -5.39457248438827
  C           2.60934905644319      0.92785056062080     -3.82636023345418
  C           1.38566440351418     -1.59987677311798     -4.48507243554375
  H           0.45281553232555     -2.15280284768231     -4.66836472061087
  H           1.98774199872212     -1.58858114350397     -5.40625883251209
  H           1.94626156886029     -2.11439830359901     -3.69097764731635
  H          -0.76699605864277      0.35505056442520     -5.59468194224067
  H           0.83155235099335      0.78994840744433     -6.28406033475047
  H          -0.01785304054462      1.92226780917818     -5.18135523731828
  H           2.45831355349831      1.99088321082315     -3.58812404169035
  H           3.16303287143292      0.84356680443308     -4.77366168674123
  H           3.19756691336206      0.46766107423073     -3.01911037523202
  C          -0.83511817914371     -0.05525423785094      3.39168331152930
  C          -0.10485171282177     -1.26064314755555      3.55123991608991
  C          -0.62573050508061      0.96812264100623      4.34298809336263
  C           0.77822517510655     -1.42671994436237      4.59372327442509
  H          -0.21320240158558     -2.06886360018631      2.82644881852909
  C           0.24930905370188      0.80928401556648      5.40322274085973
  H          -1.18246428662630      1.90401446733104      4.27287492689430
  C           0.96539527832224     -0.39475067818339      5.53736089937208
  H           1.35122155828831     -2.34885188802680      4.70854226431581
  H           0.36830308211527      1.61721418007107      6.12557047933864
  O           1.83055464973438     -0.64428796432027      6.51289562987645
  C           2.08315251630783      0.33686048923224      7.50578140260590
  H           2.82197024432617     -0.10002231615012      8.18753694387185
  H           2.49972367212410      1.25487636846572      7.06240489957733
  H           1.16894023525787      0.57674192100331      8.07102947150381
*

