%nprocshared=20
%mem=41GB
%chk=Ph-TS4-10.chk
#p opt=(maxstep=5,loose,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf=(xqc,maxcyc=512)

preopt freq loose

1 1
 C                  1.74646910   -2.29851372    1.33295646
 C                  0.57101974   -2.02592135    0.59920897
 C                 -0.09387673   -3.10766142   -0.01085888
 C                  1.53034385   -4.66702369    0.86741134
 H                 -0.99640960   -2.91280959   -0.58430032
 H                  1.90584769   -5.68116633    0.96993639
 C                  0.05372212   -0.64541804    0.54030599
 C                  0.87897969    0.40882454    0.86834793
 C                  2.49725545   -1.14149905    1.94634701
 H                  2.11541411   -0.96855457    2.96726916
 H                  3.55078222   -1.39741274    2.05570446
 C                  2.28001267    0.14755386    1.19664599
 C                  3.37037060    0.91647963    0.75599522
 C                  3.20483566    2.22816721   -0.00852924
 H                  4.09258060    2.38957364   -0.62900294
 H                  3.12944941    3.08219422    0.67451535
 H                  2.33322589    2.22884771   -0.66408391
 C                  4.76605757    0.80100516    1.36671977
 H                  4.88748787    1.57511163    2.13523443
 H                  5.52207016    0.98108814    0.59605260
 H                  4.97971066   -0.16281663    1.83057441
 P                 -4.14001919    0.05029257   -0.74704973
 C                 -5.09217812    1.17945787    0.34694735
 H                 -6.11157728    1.30810936   -0.03147509
 H                 -4.59409077    2.15258690    0.38564047
 H                 -5.12929957    0.76456795    1.35827896
 C                 -4.31174474    0.80109926   -2.41662409
 H                 -5.36864501    0.94284288   -2.66591664
 H                 -3.84701547    0.14797027   -3.16081996
 H                 -3.80192343    1.76870617   -2.43353055
 C                 -5.16582502   -1.47302902   -0.82770943
 H                 -5.19610586   -1.94249637    0.15991404
 H                 -4.71818072   -2.17653831   -1.53588333
 H                 -6.18539784   -1.23382903   -1.14784786
 Au                -1.91316868   -0.31569772   -0.06718888
 C                  0.38378898   -4.41146542    0.10970645
 H                 -0.14093188   -5.22731963   -0.37936814
 C                  2.20439757   -3.60789495    1.48073257
 H                  3.10845647   -3.79758713    2.05458209
 H                  3.40555688    0.04603423   -0.31535707
 O                  3.66087570   -0.47709898   -1.48791652
 H                  4.50181811   -0.00531537   -1.78011145
 C                  3.88852403   -1.90646383   -1.44528150
 O                  5.84012392    0.87929151   -2.02232552
 H                  4.72161031   -2.15145003   -0.77846531
 H                  2.97219863   -2.36786424   -1.07815670
 H                  4.09992614   -2.25533048   -2.45873342
 H                  6.65235986    0.34814273   -2.05732024
 C                  5.81300195    1.77429770   -3.15049272
 H                  4.87259689    2.32389672   -3.08423499
 H                  6.64796079    2.48032698   -3.09862958
 H                  5.84769971    1.22555447   -4.09801667
 C                  0.33712776    1.84926140    0.92436708
 C                  0.66812885    2.67779562    1.99695309
 C                 -0.48444875    2.32565399   -0.09720537
 C                  0.17706971    3.98219403    2.04821193
 H                  1.31523956    2.30166735    2.80256903
 C                 -0.97493840    3.63074652   -0.04657652
 H                 -0.74528387    1.67283256   -0.94273375
 C                 -0.64444484    4.45898474    1.02595902
 H                  0.43741437    4.63510794    2.89391908
 H                 -1.62236011    4.00622237   -0.85239116
 H                 -1.03146040    5.48751120    1.06656204

13 40 F
40 41 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%Chk=Ph-TS4-10.chk
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP genecp EmpiricalDispersion=GD3 nosymm scf=(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

13 40 A
40 41 A

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

Au 0
SDD










