%nprocshared=20
%mem=41GB
%chk=t2
#p opt=(modredundant,maxstep=17) nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                 -0.18944792    1.91439590   -0.10680272
 C                  0.89313556    1.44049871    0.37794478
 C                  3.73135520    1.12093048   -0.16645207
 H                  4.38088312    1.30063777    0.69188061
 H                  4.37417866    0.88038219   -1.01564854
 C                  2.86888015    2.31261452   -0.46924323
 H                  2.51269384    2.41361327   -1.49158513
 C                  2.51852442    3.27684162    0.42743233
 C                  1.65823354    0.37225285    1.04514496
 H                  0.96155993   -0.45006956    1.22949973
 H                  2.03193586    0.71743416    2.01511327
 C                  2.83838480   -0.10947275    0.17228355
 O                  2.93280490   -2.26200439    1.14860282
 O                  3.28940759   -1.12435579   -1.91892775
 C                  3.58111417   -3.32440090    1.88727027
 H                  3.84169779   -2.97730122    2.88978688
 H                  2.85071536   -4.13060441    1.93342848
 H                  4.48385384   -3.64654290    1.36345780
 C                  2.91460080   -1.82971642   -3.12461313
 H                  2.43527197   -2.77761129   -2.86913698
 H                  2.23016763   -1.21951353   -3.71839602
 H                  3.84682660   -1.99899065   -3.66120048
 H                 -0.34923858    2.86377963   -0.60286630
 C                  3.65853029   -1.15287029    0.95568752
 C                  2.29165918   -0.80814582   -1.08687186
 O                  1.12159583   -1.06031169   -1.28781511
 O                  4.78756776   -0.98759167    1.36062385
 H                  2.90405977    3.17091349    1.43969356
 Au                -1.78696064    0.53619773    0.01940823
 P                 -3.58184240   -0.94503877    0.09023799
 C                 -5.22253491   -0.12661257    0.02765288
 C                 -3.58979927   -2.14645481   -1.29644809
 C                 -3.62277181   -1.97013796    1.61173732
 H                 -5.30936487    0.44874655   -0.89828787
 H                 -6.01948842   -0.87628306    0.06813060
 H                 -5.32044602    0.55499019    0.87708502
 H                 -3.65476176   -1.60612421   -2.24502886
 H                 -4.44234872   -2.82746542   -1.20502931
 H                 -2.65971439   -2.72132821   -1.28258499
 H                 -4.48663735   -2.64253971    1.59035905
 H                 -2.70341310   -2.55852005    1.67960209
 H                 -3.68997631   -1.31843121    2.48742561
 C                  1.59844138    4.43909371    0.21857011
 H                  1.23459631    4.53275214   -0.80658584
 H                  0.72977284    4.33048423    0.88083585
 H                  2.09386071    5.37476357    0.50360568

2 6 F
2 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=t2
#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 O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




