%nprocshared=20
%mem=41GB
#p opt=(calcfc,maxstep=17) freq=noraman b3lyp genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=512)

opt freq

1 1
 C                  2.86790754   -1.68658469   -0.08520260
 C                  1.46529250   -1.49573243    0.02627709
 C                  0.63430902   -2.64690548    0.10477730
 C                  2.56500386   -4.08534726   -0.02664980
 H                 -0.43736319   -2.51168577    0.19007381
 H                  2.99115026   -5.08403867   -0.04664109
 C                  0.90901393   -0.16795023    0.07156964
 C                  1.76432200    0.98730338    0.11214238
 C                  3.74975769   -0.49412319   -0.19739748
 H                  4.58012645   -0.56731270    0.52292090
 H                  4.26438916   -0.51411858   -1.17405805
 C                  3.13199215    0.85224062   -0.05367515
 H                  5.10584981    1.49821883   -0.37405170
 C                  4.14997263    1.97989592   -0.12950385
 C                  3.88429011    2.98578800   -1.26939238
 H                  4.74072391    3.66230449   -1.35089562
 H                  2.99188713    3.59351595   -1.10461060
 H                  3.77032811    2.46637344   -2.22668678
 C                  4.36542670    2.66093475    1.24089073
 H                  3.48796495    3.21822248    1.57690452
 H                  5.20239546    3.36368603    1.16309670
 H                  4.61172575    1.92204427    2.01077386
 P                 -3.50045421    0.33847978   -0.04832362
 C                 -4.19661674    1.18754485    1.42375151
 H                 -5.28637170    1.25058683    1.34571681
 H                 -3.77841461    2.19520810    1.49263429
 H                 -3.92810448    0.63341733    2.32682372
 C                 -4.10432017    1.32312520   -1.47578269
 H                 -5.19725083    1.38864090   -1.45584104
 H                 -3.78433219    0.85001718   -2.40881287
 H                 -3.67904924    2.33004464   -1.42849348
 C                 -4.42548448   -1.24467766   -0.15056627
 H                 -4.19808480   -1.85748739    0.72661810
 H                 -4.11997543   -1.78872923   -1.04882885
 H                 -5.50266971   -1.05196731   -0.18997756
 Au                -1.15922617    0.07887255    0.02553093
 C                  1.17479945   -3.91999709    0.08543395
 H                  0.52759642   -4.78971115    0.15614795
 C                  3.40290080   -2.97626389   -0.11540810
 H                  4.47681466   -3.10962858   -0.20506137
 C                  1.08864016    2.33426538    0.29968763
 H                  0.37196101    2.28153423    1.12449233
 H                  1.78465636    3.14011991    0.52126406
 H                  0.52648471    2.61151980   -0.60130861

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

Au 0
SDD






