%nprocshared=20
%mem=41GB
%chk=c1
#p opt=(calcfc,modredundant,maxstep=7) freq=noraman b3lyp/genecp scrf=(solvent=dichloromethane,pcm) nosymm empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1
 C                 -1.43035353   -0.58165536   -0.61026840
 C                 -1.73791939   -1.58012049    0.36807245
 C                 -1.67062120   -3.92974656    0.96431516
 H                 -0.91932020   -4.66673208    0.66997499
 H                 -2.59063306   -4.47605883    1.18852444
 C                 -1.94329364   -2.91441543   -0.12105175
 H                 -2.65015364   -3.14880854   -0.90951947
 C                 -0.64497732   -2.08181724   -0.84180298
 C                 -1.27428288   -1.61227771    1.79542047
 H                 -2.07000926   -1.12711399    2.37453224
 H                 -0.36374749   -1.03962928    1.96667661
 C                 -1.16477812   -3.10645013    2.19682756
 H                 -2.11176885   -0.57321559   -1.46124424
 C                  0.75788655   -2.42553296   -0.46925656
 C                  1.23306064   -3.69125425   -0.84044007
 C                  1.62551956   -1.57074086    0.22913696
 C                  2.51290726   -4.12014221   -0.49602570
 H                  0.58754179   -4.36570952   -1.39716816
 C                  2.90156414   -1.98592715    0.58341069
 H                  1.30658756   -0.56704395    0.49090373
 C                  3.34835181   -3.27323851    0.24563933
 H                  2.83519846   -5.11205516   -0.78752636
 H                  3.56973813   -1.32964790    1.13176017
 Au                -0.48853753    1.23416865   -0.21371563
 P                  0.54895362    3.29860164    0.18617525
 C                 -0.11781162    4.68389746   -0.81898868
 C                  0.42651818    3.88666280    1.92126005
 C                  2.35103543    3.29390493   -0.16904835
 H                 -1.18078673    4.81695863   -0.59785264
 H                  0.41974468    5.61022266   -0.59177536
 H                 -0.00702644    4.45030734   -1.88169221
 H                 -0.62568383    4.00600585    2.19436656
 H                  0.94248576    4.84596491    2.03167577
 H                  0.88153414    3.14980941    2.58937190
 H                  2.78022918    4.28190822    0.02759446
 H                  2.84403977    2.55121200    0.46445501
 H                  2.51674514    3.02660272   -1.21659431
 H                  4.32823438   -3.52894114    0.59110472
 H                 -0.17367398   -3.39746411    2.47597528
 H                 -1.78472045   -3.30760560    3.04541933
 C                 -0.99634427   -2.31780312   -2.32249604
 H                 -1.19179540   -3.35774133   -2.48132732
 H                 -1.86553552   -1.74845269   -2.57793031
 H                 -0.17583334   -2.01117946   -2.93702329

1 8 F
2 8 F
6 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=c1
#p opt=(calcfc,ts,noeigentest,maxstep=7,modredundant) geom=checkpoint guess=read freq=noraman nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

opt freq

1 1

1 8 A
2 8 A
6 8 A

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

Au 0
SDD





