%nprocshared=20
%mem=41GB
%chk=c3
#p opt=(modredundant,maxstep=17) nosymm b3lyp genecp scrf=(pcm,solvent=dichloromethane) empiricaldispersion=gd3 scf=(xqc,maxcyc=1024)

preopt

1 1
 C                 -0.03618787    0.40505267   -1.84411368
 C                 -0.36152148   -0.95308143   -1.51202687
 C                  0.28615313   -3.28460450   -1.65664401
 H                  1.29698294   -3.69856800   -1.69595221
 H                 -0.37894125   -4.01307303   -2.12857649
 C                  0.16600126   -1.96419165   -2.38036206
 H                  0.02524093   -1.95100076   -3.45561702
 C                  1.24627144   -0.67732274   -2.01640753
 C                 -0.59392124   -1.51397421   -0.14008498
 H                 -1.67977831   -1.47007886    0.01385905
 H                 -0.13906692   -0.92265265    0.65340913
 C                 -0.12456409   -2.99201424   -0.17514759
 O                  0.76092747   -2.78174882    2.00857854
 O                 -0.84668290   -5.19431530    0.28964569
 C                  1.75142796   -3.03550478    3.03115834
 H                  2.70306326   -2.58130388    2.74747861
 H                  1.35641160   -2.57666224    3.93636648
 H                  1.88286472   -4.11149627    3.16585647
 C                 -1.83274688   -6.18825333    0.65464360
 H                 -2.22903390   -5.97427645    1.64982306
 H                 -2.64757852   -6.19181272   -0.07296987
 H                 -1.30070874   -7.13824738    0.64511776
 H                 -0.24159690    0.66471711   -2.88337236
 C                  1.04041420   -3.27436516    0.79318225
 C                 -1.27415953   -3.92857328    0.24853963
 O                 -2.40845687   -3.57482186    0.48840335
 O                  2.04453134   -3.89113411    0.51748638
 H                  1.56635514   -0.45183451   -3.02705444
 Au                -0.12446072    2.00892640   -0.51275895
 P                 -0.23811021    3.84128330    0.94496004
 C                 -0.80894281    5.39906928    0.15798398
 C                 -1.37229832    3.59921808    2.36856519
 C                  1.37745690    4.26768261    1.70833005
 H                 -1.80959342    5.25143766   -0.25801752
 H                 -0.83733900    6.20884684    0.89441476
 H                 -0.12757448    5.66896296   -0.65372430
 H                 -2.38451075    3.40914066    2.00069476
 H                 -1.37791854    4.48961223    3.00579826
 H                 -1.04307175    2.73579131    2.95351911
 H                  1.27080075    5.13081861    2.37338637
 H                  1.74534839    3.41170067    2.28151557
 H                  2.10191557    4.50114984    0.92280584
 C                  2.40694335   -0.90820567   -1.03094633
 H                  2.01277206   -1.12420198   -0.05992904
 H                  3.00087476   -1.73264917   -1.36626470
 H                  3.01362380   -0.02818442   -0.98194197

1 8 F
2 8 F
6 8 F

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

Au 0
SDD


--link1--
%nprocshared=20
%mem=41GB
%chk=c3
#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 O 0
6-31G*
****
Au 0
SDD
****

Au 0
SDD




