#
#Lower level of theory opt
#
! opt freq wb97x-d3bj def2-svp def2/J tightopt verytightscf
%pal nprocs 12 end
%maxcore 8000
%basis NewGTO Au "def2-TZVP" end
newecp Au "def2-ECP" end end
%cpcm smd true
smdsolvent "dichloromethane"
end
%geom calc_hess true end

* xyz 1 1
C     0.467536755011     -2.108606313029     -0.167871780406
H     1.475214641349     -1.686370484016      0.001750581728
H     0.574771689702     -2.874164292124     -0.946738899566
C    -0.452113877570     -1.005846717644     -0.594790898754 newgto "def2-tzvp(-f)" end
C    -1.446436860342     -0.597054710214      0.205855022196 newgto "def2-tzvp(-f)" end
H    -2.066909449875      0.265352304321     -0.016121426157
C    -1.843312956948     -1.293921858365      1.545544119888 newgto "def2-tzvp(-f)" end
H    -2.326622948864     -0.559839026310      2.191614250071
H    -2.525988389828     -2.116227397542      1.337977026676
C    -0.552202018767     -1.768207480978      2.015276021265 newgto "def2-tzvp(-f)" end
C     0.013103540370     -2.819499117610      1.160911860120
H     0.847491762690     -3.367589275958      1.603301667863
H    -0.788895455084     -3.520770916801      0.898122356116
Au   -0.123933289763     -0.106684161320     -2.428134679136
P     0.257797185535      0.911832047198     -4.470985605317
C    -1.251106933745      1.193084786255     -5.443835346009
C     1.035996616500      2.549299973971     -4.346609385140
C     1.352696731511     -0.034008901557     -5.574139035215
H     0.901729021307     -1.025790239992     -5.773461105889
H     1.494323568417      0.492369962792     -6.521997931572
H     2.323620363075     -0.182863843067     -5.092950829260
H    -1.752202330630      0.230928345677     -5.633070181230
H    -1.003089479075      1.674765109676     -6.398435584034
H    -1.929848376618      1.837716356714     -4.872009913363
H     0.394663962745      3.215944026515     -3.747363484573
H     1.186439579834      2.981700848759     -5.350978833897
H     2.016323807837      2.453408248595     -3.833231602006
C     0.203076798797     -1.139802299217      3.066818845084
C     1.575795461107     -1.410149372893      3.227841952912
C    -0.424440606993     -0.221392691014      3.939661767179
C     2.308512953549     -0.767282118045      4.217959104421
H     2.079482107192     -2.111005485314      2.555464227361
C     0.303570701916      0.392168306385      4.946274866102
H    -1.492911753916     -0.011238474383      3.860732184699
C     1.673957603603      0.124513397623      5.081791275363
H     3.377394253055     -0.971786659610      4.326834040953
H     2.252192210870      0.624344134253      5.869730811551
C    -0.351679043015      1.340800764036      5.920765624493
F     0.288101181679      2.522958886650      5.949524229366
F    -0.329431854477      0.853619305614      7.167379834615
F    -1.632303717470      1.584460337416      5.598244692307
*

