%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                  3.11618729   -1.44675771   -0.66418027
 C                  1.95572120   -0.93889687   -0.05728903
 C                  1.10215215   -1.80051702    0.64093818
 C                  2.52566697   -3.67275718    0.03206021
 H                  0.23046648   -1.41407558    1.15989421
 H                  2.73947639   -4.73715039    0.06805264
 C                  1.84493130    0.52686920   -0.27596420
 C                  0.71052003    1.29434173   -0.35003431
 C                  3.95485809   -0.34119794   -1.26687938
 H                  3.93813860   -0.37424511   -2.36141513
 H                  5.00396057   -0.39774421   -0.95495574
 C                  3.29530313    0.96479579   -0.78726234
 H                  3.25903588    1.76082817   -1.52841199
 C                  3.50915188    1.43242403    0.56992912
 C                  4.04586350    0.55995983    1.65710872
 H                  5.14069947    0.67702438    1.62359956
 H                  3.71152804    0.89814091    2.64157428
 H                  3.83134226   -0.49992821    1.53036401
 C                  3.39418793    2.88001777    0.93039598
 H                  2.55543116    3.05764036    1.61250157
 H                  4.29911635    3.14981435    1.48869431
 H                  3.30472524    3.53904604    0.06847894
 P                 -3.36042780   -0.39078485    0.11848378
 C                 -4.60405425    0.76469072    0.81944055
 H                 -5.58027380    0.27448367    0.89419959
 H                 -4.28216646    1.08665176    1.81392338
 H                 -4.68748606    1.64461015    0.17514605
 C                 -3.42179763   -1.86264262    1.21643869
 H                 -4.44288339   -2.25188192    1.28138180
 H                 -2.76195333   -2.63819289    0.81767584
 H                 -3.07357815   -1.58700030    2.21582595
 C                 -4.10029274   -0.96398250   -1.46219740
 H                 -4.16739614   -0.12322530   -2.15814716
 H                 -3.46152678   -1.73439605   -1.90282626
 H                 -5.10070019   -1.37421684   -1.28997512
 Au                -1.19402575    0.49835485   -0.11421581
 C                  1.38836209   -3.16758702    0.67293375
 H                  0.72862368   -3.84028016    1.21345776
 C                  3.40319141   -2.80861631   -0.63159775
 H                  4.30267355   -3.19255406   -1.10500155
 C                  0.73210852    2.76181794   -0.67884947
 H                  0.60551446    3.34901628    0.24254236
 H                  1.64602054    3.10810694   -1.17210547
 H                 -0.11670270    3.01949691   -1.31862807

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

Au 0
SDD





