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

opt freq

1 1
 C                 -1.00209579    0.09807687   -0.90630747
 C                  0.16393454    0.77077265   -0.42101675
 C                  0.14042871    2.19086283   -0.15663950
 C                 -0.92362383    3.02190471   -0.61860456
 C                  1.20959707    2.79747963    0.55635951
 H                  2.01804073    2.16706947    0.91425710
 C                  0.17993669    4.95990935    0.34332704
 H                  0.18999955    6.03024795    0.52771529
 C                 -2.07452405    2.44439192   -1.40304353
 H                 -1.92088443    2.68123760   -2.46466432
 H                 -3.00302546    2.95279377   -1.11385756
 C                 -2.25808364    0.95044006   -1.26262337
 H                 -2.83383043    0.51004020   -2.07425149
 C                 -2.35367056    0.24458158    0.02702905
 C                 -3.17114432   -1.03675376    0.09948141
 H                 -2.68492897   -1.77519549    0.74606745
 H                 -3.36009242   -1.49173477   -0.87334627
 C                 -2.32640533    0.94304915    1.37577938
 H                 -2.01312167    0.24237941    2.15700496
 H                 -3.34849559    1.26648961    1.60689821
 H                 -1.68916486    1.82320462    1.42809996
 Au                 1.89483234   -0.34038432   -0.11678333
 P                  3.83383680   -1.62533988    0.26052586
 C                  5.07979769   -0.80561855    1.33106145
 H                  5.39308996    0.13612547    0.87159195
 H                  5.95182601   -1.45428359    1.46308575
 H                  4.63541358   -0.59020453    2.30704672
 C                  4.74799441   -2.05819691   -1.27247762
 H                  4.09465328   -2.63161558   -1.93621623
 H                  5.63391097   -2.65401070   -1.02977311
 H                  5.05479329   -1.14243040   -1.78571561
 C                  3.51004748   -3.23706567    1.07863553
 H                  3.02534629   -3.06507397    2.04391505
 H                  4.44853391   -3.77895224    1.23498539
 H                  2.84333419   -3.83690950    0.45254918
 C                  1.22679485    4.15822586    0.81633006
 H                  2.04742837    4.59916942    1.37300594
 C                 -0.87998956    4.39245745   -0.36661178
 H                 -1.68798144    5.02467804   -0.72467763
 C                 -0.79932491   -1.24112729   -1.61017719
 H                  0.02392050   -1.15985374   -2.32620399
 H                 -0.55537836   -2.03944389   -0.90053040
 H                 -1.68545616   -1.54340821   -2.17197973
 H                 -4.33264430   -0.74822140    0.63072658
 O                 -5.54910671   -0.56292021    1.21216372
 H                 -6.20987458   -1.03063172    0.61527425
 C                 -5.61196565   -1.14682042    2.53277001
 O                 -7.21610982   -1.90450045   -0.32604070
 H                 -5.41640900   -2.22329772    2.49668661
 H                 -4.85288242   -0.65114139    3.13934298
 H                 -6.60193275   -0.96104556    2.95666879
 H                 -7.91315901   -1.41625368   -0.79241384
 C                 -6.65956530   -2.90242523   -1.19808937
 H                 -5.87517339   -3.40575586   -0.62971368
 H                 -7.42192367   -3.63349944   -1.48584226
 H                 -6.22033709   -2.45551244   -2.09781865

15 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-8transoid.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

15 44 A
44 45 A

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

Au 0
SDD







