%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                  0.79039575   -0.43241652   -2.35971349
 C                  0.91803204    0.85901905   -1.69358281
 C                  1.97714918    2.64556180   -0.54847880
 H                  2.23932809    3.50203133   -1.18361919
 H                  2.60504797    2.71147714    0.34549555
 C                  2.10988999    1.33956310   -1.28033582
 H                  3.06550458    0.85224321   -1.44784195
 C                 -0.31531539   -1.08955804   -2.89159800
 C                 -0.19348994    1.82716499   -1.33483459
 H                 -1.10620799    1.35703705   -0.98193847
 H                 -0.45499562    2.44248244   -2.20499084
 C                  0.45650877    2.68662404   -0.21956266
 O                 -1.39068160    4.07249779    0.23321543
 O                  0.67971640    2.78062053    2.13325313
 C                 -2.06922250    5.34665655    0.28329398
 H                 -2.11230549    5.79020482   -0.71433308
 H                 -3.07071832    5.12821327    0.65179275
 H                 -1.54635871    6.02470738    0.96218925
 C                  0.53664668    2.26100153    3.47346272
 H                 -0.50615968    2.00078740    3.66867548
 H                  1.16731739    1.37774021    3.60256615
 H                  0.86606113    3.06352588    4.13171194
 H                  1.74885762   -0.90524032   -2.57901013
 C                 -0.11653373    4.10073127   -0.19154766
 C                  0.22247609    2.00986741    1.14060282
 O                 -0.27515734    0.91087396    1.30605668
 O                  0.46705002    5.10464319   -0.53931752
 H                 -0.05609812   -1.96620551   -3.48624898
 Au                 0.06931910   -1.81768229   -0.61318708
 P                 -0.24011476   -2.59707074    1.54426023
 C                 -0.27923975   -4.41848376    1.73118222
 C                  1.06010316   -1.98761575    2.68092200
 C                 -1.81439447   -1.97261941    2.24173785
 H                  0.66629175   -4.84127555    1.38082997
 H                 -0.43193423   -4.68469580    2.78213374
 H                 -1.09536835   -4.82768730    1.12937776
 H                  2.03629237   -2.36527446    2.36587754
 H                  0.85024401   -2.31776299    3.70342109
 H                  1.06056087   -0.89584811    2.63585473
 H                 -1.93176603   -2.31944631    3.27358340
 H                 -1.78879066   -0.88032879    2.21597556
 H                 -2.65193778   -2.33030546    1.63676233
 C                 -1.77330954   -0.63152475   -3.08148886
 H                 -2.25441845   -0.56842444   -2.12783664
 H                 -1.78688857    0.32933056   -3.55209770
 H                 -2.29164311   -1.33723665   -3.69646938

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

Au 0
SDD




