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

opt freq ts

1 1
 C                  0.48812441    1.63934458    1.08584655
 C                 -0.71601995    0.94454189    0.99252794
 C                 -1.72333651   -0.69213338    2.40898533
 H                 -1.79020662   -0.18769904    3.37979006
 H                 -1.88067616   -1.75988407    2.56932947
 C                 -0.45695384   -0.34338289    1.65827855
 H                  0.08275084   -1.13378245    1.14628885
 C                  1.20076207    0.83268756    2.10730184
 C                 -2.19584763    1.27731468    0.98485693
 H                 -2.59143819    1.57827333    0.01427310
 H                 -2.39367598    2.08047463    1.70406284
 C                 -2.81806924   -0.06256954    1.47756798
 O                 -5.10443070    0.49552740    1.34814552
 O                 -3.62946830   -2.13142020    0.66456362
 C                 -6.40255855    0.77154679    1.92098607
 H                 -6.33852627    1.62043389    2.60580667
 H                 -7.04862111    1.00454494    1.07573212
 H                 -6.76934551   -0.10596743    2.45886370
 C                 -3.89405397   -3.10029342   -0.37491702
 H                 -4.56097293   -2.67128981   -1.12640311
 H                 -2.95839426   -3.40924645   -0.84722951
 H                 -4.36847644   -3.94147147    0.12820000
 H                  0.75158598    2.64101086    0.75162439
 C                 -4.13347262    0.17752236    2.21763162
 C                 -3.05514675   -0.98885239    0.27527117
 O                 -2.73493132   -0.74235239   -0.87260048
 O                 -4.27501776    0.12984263    3.42026477
 H                  0.82208266    1.02683415    3.11010485
 C                  2.58455515    0.37919666    2.03321274
 C                  3.29732142    0.34349000    0.82228573
 C                  3.25081594   -0.05492302    3.20130787
 C                  4.62365214   -0.08069870    0.76452125
 H                  2.80791808    0.65453991   -0.09759233
 C                  4.56438214   -0.48879574    3.15885353
 H                  2.72273300   -0.04228328    4.15154772
 C                  5.26646155   -0.50347730    1.93841494
 H                  5.14010080   -0.08479905   -0.18792533
 H                  5.07870814   -0.81840244    4.05593781
 O                  6.54740088   -0.94429426    2.00339408
 C                  7.32160210   -0.97604250    0.80426805
 H                  8.30444268   -1.34840020    1.09553665
 H                  6.87947591   -1.65280369    0.06279754
 H                  7.42390060    0.02591567    0.37007625
 Au                 0.24028151    0.65727617   -1.10633341
 P                  0.29460457   -0.15555284   -3.27388877
 C                  1.97408666   -0.37358345   -3.97370415
 C                 -0.50997532   -1.80018495   -3.35241881
 C                 -0.61345096    0.89544461   -4.46872827
 H                  2.55343090   -1.03738985   -3.32611218
 H                  1.90933865   -0.80734298   -4.97686101
 H                  2.47554824    0.59684065   -4.02738985
 H                  0.07628860   -2.51422251   -2.76709896
 H                 -0.57371036   -2.14149916   -4.39062667
 H                 -1.50889008   -1.72358086   -2.91449431
 H                 -0.60725691    0.42732886   -5.45848614
 H                 -1.64566456    1.01801661   -4.12957742
 H                 -0.13944960    1.87898998   -4.52574334

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

Au 0
SDD




