%nprocshared=20
%mem=41GB
%chk=t1
#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                  0.71839435   -0.48261765   -0.96390665
 C                  1.32162188   -1.78636393   -0.82425928
 C                  3.26492736   -2.88891517    0.11134708
 H                  3.99055441   -2.59109549    0.87073328
 H                  3.75386640   -3.59613390   -0.56586080
 C                  2.74993909   -1.71285516   -0.68716593
 H                  3.38072815   -1.25628308   -1.44402550
 C                  1.97873268   -0.43539799    0.09249270
 C                  0.79091144   -2.95671260   -0.05689088
 H                  0.48346915   -3.69822592   -0.80921515
 H                 -0.09138779   -2.71818994    0.54064734
 C                  1.98963903   -3.51952108    0.75869277
 H                  1.09395843    0.08171255   -1.81915938
 C                  2.83040154    0.81202175    0.04396855
 C                  3.32183742    1.27885671    1.26702178
 C                  3.17408671    1.49765057   -1.12935149
 C                  4.12550787    2.41944438    1.33417848
 H                  3.08335727    0.74578513    2.18319778
 C                  3.97473371    2.63023188   -1.07478416
 H                  2.82665240    1.15321769   -2.09911494
 C                  4.45554417    3.10470009    0.15764174
 H                  4.48345819    2.75510736    2.29992087
 H                  4.24204558    3.16736607   -1.97891987
 Au                -1.21983193   -0.00566726   -0.36244455
 P                 -3.38644949    0.58121986    0.32069019
 C                 -4.15031707    1.92223270   -0.67491488
 C                 -4.59873019   -0.79663221    0.24502889
 C                 -3.48259922    1.18146799    2.05391239
 H                 -4.21146832    1.60947095   -1.72115872
 H                 -5.15541407    2.14803249   -0.30369089
 H                 -3.52906058    2.82029148   -0.61275887
 H                 -4.66547834   -1.16828119   -0.78144705
 H                 -5.58502031   -0.45188013    0.57224749
 H                 -4.26556744   -1.61234159    0.89314739
 H                 -4.51685885    1.42746463    2.31560912
 H                 -3.11220994    0.40499370    2.72931669
 H                 -2.85764029    2.07198442    2.16600576
 H                  5.06221156    3.98487325    0.11127461
 H                  1.89095220   -3.22531183    1.78270538
 H                  2.03218102   -4.58742192    0.70694363
 C                  1.59025217   -0.78844053    1.54026473
 H                  0.90312250   -1.60864041    1.53526688
 H                  2.46762472   -1.06151390    2.08848764
 H                  1.13009112    0.05953707    2.00295879

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=t1
#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





