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

opt freq

1 1
 C                  1.76409886   -1.81296373    0.78928446
 C                  0.50489153   -1.55884526    0.20219834
 C                 -0.25819939   -2.66329086   -0.22034858
 C                  1.44476748   -4.20497523    0.53793900
 H                 -1.22688480   -2.48800617   -0.68250099
 H                  1.80937653   -5.22007138    0.66957693
 C                  0.02545428   -0.16002867    0.06376436
 C                  0.93146129    0.85792326    0.03888810
 C                  2.57057860   -0.61754676    1.21700657
 H                  2.17981372   -0.23082451    2.16979051
 H                  3.61446359   -0.89677352    1.37897113
 C                  2.43622497    0.48622360    0.14706827
 H                  2.71550679    0.04227320   -0.82546845
 C                  3.43768936    1.63538253    0.37330409
 C                  3.44602295    2.23965513    1.76213421
 H                  4.15220097    3.06996683    1.84102642
 H                  3.66748862    1.49433628    2.52867323
 H                  2.44566225    2.63133213    1.96341487
 C                  3.56797488    2.65138355   -0.74825263
 H                  4.52013638    3.18469752   -0.68424911
 H                  2.78417538    3.40309799   -0.65850720
 H                  3.48219039    2.18048683   -1.73198204
 P                 -4.37465118    0.45495543   -0.11854672
 C                 -5.04854442    1.53192363    1.21127503
 H                 -6.13537728    1.62643135    1.11629586
 H                 -4.59080284    2.52324007    1.14536598
 H                 -4.80580459    1.09970724    2.18638038
 C                 -4.99406614    1.22521875   -1.66972524
 H                 -6.08309932    1.33584426   -1.63734412
 H                 -4.71817903    0.59805769   -2.52247736
 H                 -4.53279288    2.20906108   -1.79623427
 C                 -5.35339785   -1.09462697    0.02940934
 H                 -5.12249543   -1.58089422    0.98166914
 H                 -5.08414041   -1.77456127   -0.78407777
 H                 -6.42588489   -0.87792563   -0.01808537
 Au                -2.04019993    0.14624687   -0.04312393
 C                  0.20532211   -3.97010598   -0.06232914
 H                 -0.40316193   -4.80358783   -0.40348936
 C                  2.21910596   -3.12090869    0.96075883
 H                  3.18965780   -3.29260162    1.42173753
 C                  0.50900568    2.28844764   -0.20532931
 H                 -0.58027379    2.36529696   -0.15490152
 H                  0.91882983    2.99826328    0.52322600
 H                  0.81219198    2.63569591   -1.20231084
 O                  4.84285287    0.80959352    0.29564890
 H                  4.93792773    0.44659579   -0.60895602
 C                  6.11754665    1.39460696    0.75202417
 H                  6.03598262    1.50001416    1.82987410
 H                  6.88519217    0.66678395    0.49396166
 H                  6.29232375    2.35150681    0.26094902
 O                  5.10927808    0.01357362   -2.11667445
 H                  4.46542279   -0.06539646   -2.85038470
 C                  5.61467231   -1.31700868   -1.73003410
 H                  6.07112147   -1.19729189   -0.75184910
 H                  4.73755573   -1.95929776   -1.66893196
 H                  6.32653616   -1.68141374   -2.47018138

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

Au 0
SDD




