%nprocshared=20
%mem=41GB
%chk=tsr2
#p opt=(modredundant,loose) nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt loose

1 1
 C                  1.39959336    0.93269750    0.09316133
 C                  2.24981951    0.01464460    0.37256829
 C                  4.64586051   -1.27721352   -0.50493484
 H                  5.30810759   -1.46894900    0.34287833
 H                  5.15559688   -1.61608927   -1.40937753
 C                  4.30893201    0.18432466   -0.59308331
 H                  4.01812369    0.57889268   -1.56533365
 C                  4.41527046    1.04317712    0.45985985
 C                  2.51465777   -1.38028182    0.78096378
 H                  1.54373402   -1.86646857    0.90813091
 H                  3.03474106   -1.40773979    1.74510065
 C                  3.35530099   -2.11352778   -0.28326913
 H                  4.75436073    0.65133192    1.41849558
 Au                -0.60578887    0.28479314    0.07465936
 P                 -2.83821814   -0.35908001   -0.08244396
 C                 -4.02728349    1.01096332    0.19103168
 C                 -3.27054662   -1.04243694   -1.72961447
 C                 -3.33311654   -1.66089882    1.11282754
 H                 -3.84124473    1.80592757   -0.53650283
 H                 -5.05438956    0.64821242    0.08001227
 H                 -3.89103388    1.41560720    1.19780758
 H                 -3.08012315   -0.28773114   -2.49765850
 H                 -4.32657081   -1.33031034   -1.75363793
 H                 -2.64779752   -1.91762027   -1.93482514
 H                 -4.38711156   -1.92119532    0.97013080
 H                 -2.71503519   -2.55013239    0.96052831
 H                 -3.18191598   -1.29623362    2.13263238
 H                  4.26744010    2.10129111    0.40119997
 H                  2.78049603   -2.23163549   -1.17800364
 H                  3.61000796   -3.09148793    0.06832482
 C                  1.70242971    2.37768842   -0.34489276
 H                  2.64988309    2.67912007    0.05054503
 H                  1.72949536    2.42822511   -1.41335590
 H                  0.93832281    3.02970688    0.02377049

2 6 F
2 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=tsr2
#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

2 6 A
2 8 A

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

Au 0
SDD





