#
#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
%scf guess moread
moinp "preG12.gbw" end
%geom inhess read
inhessname "preG12.hess"
trust 0.2 end
%cpcm smd true
smdsolvent "dichloromethane"
end

* xyz 1 1
C    -0.613083751698     -1.521126885599      0.323959228248
H     0.425115142056     -1.469198598286      0.668752843057
H    -0.693443757067     -2.425728128243     -0.283004086347
C    -0.944535940332     -0.297661649180     -0.490643640161
C    -1.747926905490      0.633669055316      0.026446244687
H    -2.007443902859      1.535609916144     -0.520800656620
C    -2.362680975399      0.590571644007      1.437074366002
H    -2.348038557422      1.587632040857      1.868017274840
H    -3.408961631289      0.269547436892      1.360679314595
C    -1.636304642175     -0.414756881605      2.239127351613
C    -1.558773862029     -1.714105522447      1.550161788218
H    -1.215205284139     -2.534346884293      2.173085809471
H    -2.551249735884     -1.948390405364      1.157334430435
Au   -0.112784206981     -0.112691200839     -2.371725462645
P     0.819494481126      0.097323318786     -4.473358442775
C    -0.072045461208     -0.795332431507     -5.775754132476
C     0.909217438874      1.804608985099     -5.077906138651
C     2.522682998911     -0.513374389482     -4.593366919445
H     2.548925629574     -1.572265197648     -4.327929401589
H     2.902215109944     -0.384068174190     -5.609753105179
H     3.156625766923      0.037896147296     -3.895785572527
H    -0.096968173251     -1.860101253346     -5.534869568702
H     0.420297549770     -0.652203111423     -6.740620956322
H    -1.097885474010     -0.425483349342     -5.832816451682
H    -0.096543323731      2.227536625837     -5.122571681978
H     1.359895977548      1.832474473827     -6.072850876164
H     1.510154533834      2.402805561660     -4.389873109052
C    -0.977938223433     -0.131446150198      3.450395244006
C    -0.156597273331     -1.105086618901      4.081836171346
C    -1.095864835673      1.135677963558      4.080006189181
C     0.511279973377     -0.823812304214      5.244370886904
H    -0.036300020965     -2.084033424911      3.638852212463
C    -0.436678891228      1.403692218611      5.252521099395
H    -1.722201970121      1.904034855178      3.648870424280
C     0.384489145235      0.436550699190      5.856901305007
H     1.137695756900     -1.585514303442      5.692165383128
H    -0.544181019534      2.373576695631      5.724504338607
C     1.080740710645      0.771649353838      7.107354427010
C     1.316042506549     -0.296990160185      8.158729436598
C     2.468694689476      0.217974750197      7.374919749144
H     0.885136203990      1.771110686226      7.474425681987
H     0.948116573861     -1.291587801771      7.937639877990
H     1.209151100062      0.019448309977      9.188875478410
H     3.163080050585      0.892845127949      7.859819001376
H     2.897080869827     -0.420274662347      6.611466059626
*

