%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=3) freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                 -0.19316435    1.95715901   -0.41787049
 C                  1.12325031    1.83054713   -0.00680716
 C                  3.15164593    0.86802962   -1.18575265
 H                  4.14294604    1.19870725   -0.86477071
 H                  3.26305441    0.39224644   -2.16053099
 C                  2.20184657    2.04680536   -1.27886573
 H                  1.73496542    2.24957144   -2.23646132
 C                  2.13403679    3.05434341   -0.24135524
 C                  1.66301283    0.66985949    0.81276246
 H                  0.84726104    0.04467215    1.17492876
 H                  2.21709179    1.03006287    1.68305032
 C                  2.59420504   -0.13949735   -0.13130607
 O                  3.28559634   -1.85236632    1.33987712
 O                  2.60106199   -1.94140227   -1.65912949
 C                  4.23914725   -2.50655652    2.20959092
 H                  4.56744643   -1.81699076    2.99057150
 H                  3.70473248   -3.35257166    2.63895670
 H                  5.10170285   -2.84471581    1.63095668
 C                  1.98963811   -3.03559259   -2.37887533
 H                  1.58795510   -3.76820866   -1.67494024
 H                  1.18712110   -2.66236665   -3.01951606
 H                  2.78943795   -3.47109288   -2.97594619
 H                 -0.36460031    2.81858089   -1.07112581
 C                  3.72670534   -0.76872644    0.69106378
 C                  1.80073063   -1.25442144   -0.83562138
 O                  0.61763334   -1.48297716   -0.68456517
 O                  4.84349703   -0.30743684    0.79731660
 H                  1.58821940    3.95469048   -0.51397625
 Au                -1.73671049    0.68565631   -0.03650212
 P                 -3.49583848   -0.84095328    0.34059824
 C                 -5.18121691   -0.11843657    0.27292819
 C                 -3.51667112   -2.21293365   -0.87996244
 C                 -3.40535623   -1.67267161    1.97466968
 H                 -5.34660870    0.33077815   -0.71032891
 H                 -5.93407739   -0.89282889    0.45151816
 H                 -5.27315034    0.66081709    1.03480997
 H                 -3.66799049   -1.80586703   -1.88378814
 H                 -4.32241490   -2.91657418   -0.64660914
 H                 -2.55556487   -2.73420473   -0.85325794
 H                 -4.22504988   -2.39057725    2.08094221
 H                 -2.44882240   -2.19569433    2.06198217
 H                 -3.47158762   -0.92451015    2.76960993
 C                  3.21453218    3.29474106    0.79192241
 H                  3.87759025    4.07928382    0.41071997
 H                  2.77517535    3.64688174    1.72971994
 H                  3.82650914    2.41492885    1.00102241

C H P O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




