%nprocshared=20
%mem=41GB
%chk=tsr5
#p opt=(modredundant,loose) nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt loose

1 1
 C                  1.75805233   -1.13002804    0.03270438
 C                 -0.03632012   -3.00165065    0.03032937
 C                 -1.74646543   -4.60482872   -0.30106792
 H                 -2.02328847   -5.52182415    0.23196027
 H                 -2.02364783   -4.76345900   -1.35422592
 C                 -0.27737825   -4.30693937   -0.20710411
 H                  0.49235606   -5.05787490   -0.36390402
 C                  1.32582906   -2.47861158    0.04682491
 C                 -1.32882737   -2.21728333    0.15808976
 H                 -1.48414414   -1.59533185   -0.73498700
 H                 -1.32922133   -1.53610223    1.01692471
 C                 -2.40228029   -3.33012137    0.28909022
 H                  1.54383510   -1.84823929    1.15063881
 Au                 0.53381002    0.55661768    0.03271669
 P                 -0.82972264    2.46355455   -0.05011361
 C                 -0.02314251    3.95681890   -0.74813176
 C                 -2.33315243    2.21822627   -1.07532932
 C                 -1.46247142    2.99187379    1.59031764
 H                  0.31648917    3.74578629   -1.76606386
 H                 -0.72875002    4.79380544   -0.76624008
 H                  0.84307123    4.22427933   -0.13636023
 H                 -2.03996773    1.97156195   -2.09974859
 H                 -2.94212802    3.12788733   -1.07957044
 H                 -2.91901166    1.38887585   -0.66881387
 H                 -2.11822209    3.86207869    1.48239619
 H                 -2.02106497    2.17014467    2.04714376
 H                 -0.62068533    3.24842326    2.23969300
 H                  2.10518093   -3.24332533   -0.03759393
 H                 -2.62460224   -3.49560186    1.34862780
 H                 -3.33928317   -3.06660550   -0.20799259
 C                  3.24723120   -0.90683515   -0.09267181
 H                  3.59917241   -0.14303307    0.60606365
 H                  3.84565984   -1.81922143    0.02388906
 H                  3.41665142   -0.51206378   -1.10305946

1 13 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=tsr5
#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 13 A

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

Au 0
SDD








