%nprocshared=20
%mem=41GB
#p opt=maxstep=17 freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                  1.99284430   -1.25294634    0.36467978
 C                 -0.04386949   -2.61108734   -0.26390517
 C                 -1.98251384   -3.93286911   -0.59875852
 H                 -2.13907843   -4.90925755   -1.07241045
 H                 -2.91822427   -3.36945290   -0.73845892
 C                 -0.83668876   -3.16821447   -1.20200575
 H                 -0.69305681   -3.05568795   -2.27347942
 C                  1.12118898   -1.79157954   -0.56686103
 C                 -0.55439408   -2.91029417    1.13392728
 H                 -1.01966233   -2.00849818    1.55981360
 H                  0.24218034   -3.20916881    1.82476203
 C                 -1.58847840   -4.04097337    0.89807557
 H                  1.81665215   -1.47085689    1.41990214
 Au                 0.41014536    0.43650310   -0.02006948
 P                 -0.81827286    2.40374949    0.02066669
 C                 -0.02762514    3.77271968   -0.90573653
 C                 -2.49163330    2.22156191   -0.70521265
 C                 -1.08961930    3.04004084    1.71711392
 H                  0.09883445    3.47915876   -1.95148257
 H                 -0.65358451    4.66926581   -0.85113387
 H                  0.95457904    3.98654695   -0.47563414
 H                 -2.40617388    1.90691382   -1.74873699
 H                 -3.02263270    3.17762828   -0.65260662
 H                 -3.04968695    1.46255820   -0.15038258
 H                 -1.68705012    3.95660033    1.67809866
 H                 -1.61637337    2.28582394    2.30801710
 H                 -0.12565938    3.25059950    2.18827696
 H                  1.38952367   -1.71317482   -1.62183440
 H                 -1.11031922   -5.01001169    1.07652629
 H                 -2.44899436   -3.97047949    1.56875601
 C                  3.35429475   -0.70424307    0.02162254
 H                  3.59339619    0.18026463    0.62009803
 H                  4.11314783   -1.46526739    0.24840422
 H                  3.43375790   -0.44618186   -1.03864299

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

Au 0
SDD


