%nprocshared=20
%mem=41GB
%chk=Me-TS2b-8cisoid.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                 -0.67732934   -0.03942420   -1.67080694
 C                  0.02674135    0.64684754   -0.63111035
 C                 -0.55473932    1.79911377    0.01794029
 C                 -1.69803952    2.46391656   -0.51792541
 C                  0.03005705    2.31426041    1.20626249
 H                  0.89670419    1.80733646    1.61983188
 C                 -1.60756036    4.07243492    1.29962856
 H                 -2.01710186    4.95338726    1.78534838
 C                 -2.34987391    1.98307646   -1.78967285
 H                 -2.03868542    2.64635216   -2.60818784
 H                 -3.43793315    2.09925907   -1.70694100
 C                 -2.02725975    0.55699683   -2.17375759
 H                 -2.19970023    0.34619231   -3.22732407
 C                 -2.17658149   -0.59841607   -1.27192586
 C                 -2.48605094   -1.96061045   -1.87524008
 H                 -1.94272424   -2.75373736   -1.35033925
 H                 -2.26442397   -2.02866041   -2.94076975
 H                 -3.55819953   -2.15301221   -1.74908328
 C                 -2.72004748   -0.50009401    0.14324386
 H                 -2.37885738   -1.35380674    0.73835899
 H                 -2.46342191    0.41369862    0.67485730
 Au                 1.90974760   -0.04545676   -0.08499936
 P                  4.02444750   -0.87101758    0.54722290
 C                  4.60894959   -0.26441866    2.17841974
 H                  4.67357023    0.82720532    2.16032891
 H                  5.59379462   -0.68381350    2.40824227
 H                  3.89685181   -0.56191449    2.95355886
 C                  5.37174602   -0.43597906   -0.62268189
 H                  5.14005811   -0.84147813   -1.61167317
 H                  6.32410587   -0.84848582   -0.27397488
 H                  5.45248329    0.65209078   -0.69852795
 C                  4.09855318   -2.70089881    0.68081174
 H                  3.36770537   -3.04241567    1.41939732
 H                  5.10038918   -3.01907676    0.98729263
 H                  3.85495852   -3.14782959   -0.28728839
 C                 -0.49274958    3.42527280    1.84800654
 H                 -0.03752811    3.79507123    2.76112272
 C                 -2.19842141    3.59309106    0.12891461
 H                 -3.06525230    4.10179732   -0.28410728
 C                  0.14371713   -0.90468733   -2.62328728
 H                  1.03269597   -0.35490689   -2.94653774
 H                  0.47346110   -1.83367168   -2.14508766
 H                 -0.41808532   -1.16496414   -3.52265285
 H                 -4.02646528   -0.55710761    0.07559386
 O                 -5.38547427   -0.61148278    0.12380577
 H                 -5.60792198   -1.51103331    0.51492101
 C                 -5.93834225    0.42032119    0.97151401
 O                 -5.90341560   -2.93153821    1.26129832
 H                 -5.56123416    0.33225149    1.99541878
 H                 -5.63943463    1.37936119    0.54638777
 H                 -7.02805894    0.33828754    0.96647791
 H                 -6.38567284   -3.60165827    0.75126555
 C                 -4.84463317   -3.55933411    2.00353592
 H                 -4.32991221   -2.76106466    2.54158012
 H                 -5.24995970   -4.27678277    2.72425731
 H                 -4.13067386   -4.06516836    1.34280976

19 44 F
44 45 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Me-TS2b-8cisoid.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

19 44 A
44 45 A

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

Au 0
SDD








