#
#Opt
#
! opt 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
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
  C          -2.03910273022111     -1.12612652402876      0.53199075566223
  H          -1.89892478249132     -2.08594629471599      0.01401110630438
  H          -3.01976256144973     -0.75346053280672      0.16980085973887
  C          -1.03300278031930     -0.11438042956407      0.09920966682315
  C          -0.70659269213770      0.73316445955492      1.17789653600721
  H           0.17502440818278      1.37681693777190      1.17435085144792
  C          -1.90702758761990      1.26232556143760      2.03043257101955
  H          -1.65860727393037      2.21689464934299      2.49946364770857
  H          -2.89431007043736      1.21028721982606      1.56429242284765
  C          -1.26595015477674      0.05426854388235      2.51450230391975
  C          -1.93726265499557     -1.23740422116367      2.05915066508764
  H          -1.31076626364812     -2.09899518471494      2.33075073735302
  H          -2.91242338844772     -1.36473858374987      2.55221569856197
  Au         -0.20144915995979     -0.01529903835376     -1.75474596964958
  P           0.76426649545291      0.10603131866624     -3.89386727456883
  C           0.00209107138816      1.36810576916481     -4.95841649964443
  C           2.53585370808903      0.51506546755664     -3.86029325522468
  C           0.64830842867320     -1.44591386612972     -4.83396474960386
  H          -0.40890063892910     -1.71906832736650     -4.96445257051565
  H           1.11853100428755     -1.33137307235871     -5.82226870053335
  H           1.15467540351649     -2.25144733220080     -4.28261805984768
  H          -1.06658936963896      1.14511035588149     -5.09013995693060
  H           0.49441253210913      1.38316141447226     -5.94238417900590
  H           0.10033628917816      2.35695486353188     -4.48754157494130
  H           2.68035061249882      1.48798382646341     -3.36868981909927
  H           2.93640265511012      0.56151040510592     -4.88411947105208
  H           3.08132218397099     -0.25194620404006     -3.29162558645309
  C          -0.39046757004915      0.05740076383504      3.72626421500152
  C           0.74534580212186     -0.75901638294181      3.77686190203131
  C          -0.69612737089712      0.84797168793388      4.84024293164364
  C           1.55659504667403     -0.77760921533998      4.90870676148041
  H           1.00617739497894     -1.37998900013300      2.91437685123755
  C           0.11578165879975      0.82296901629601      5.97164047867911
  H          -1.58606413239225      1.48327726506280      4.82853922154487
  C           1.25747511853617      0.01247429837309      6.02629708191633
  H           2.44439512860843     -1.41655275972454      4.92366075568303
  H          -0.14444882880469      1.44592353000494      6.83277216526828
  C           2.13431414693926      0.00299552689221      7.25026350579305
  H           2.94188685064055     -0.73688985481599      7.15980227532164
  H           2.59556091297068      0.99020624209237      7.41216395287099
  H           1.55210338841895     -0.23410812899995      8.15413808611667
*

