%nprocshared=20
%mem=41GB
%chk=Cl-TS10-12.chk
#p opt=(loose,maxstep=7,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf=(xqc,maxcyc=512)

preopt loose

1 1
 C                  2.97757676    1.69523836   -0.24599956
 C                  2.14941367    0.64151696    0.17792678
 C                  2.71215369   -0.61109214    0.45257228
 C                  4.89641664    0.24729571   -0.18429267
 H                  2.09553740   -1.42493071    0.82134304
 H                  5.96222849    0.08668393   -0.31965281
 C                  0.74425333    1.11482632    0.25921549
 C                 -0.34271832    0.31106565    0.17780549
 C                  2.18907461    2.96854883   -0.45163166
 H                  2.05271271    3.16822980   -1.52185319
 H                  2.68637017    3.83908332   -0.01791734
 C                 -0.61339804    2.98105050    2.29646885
 H                 -0.40195233    3.52661082    3.22339678
 H                 -1.64195568    3.23076276    2.00877340
 H                 -0.54633008    1.90566898    2.46444692
 C                  0.58097711    4.92915533    1.23681581
 H                 -0.36583347    5.46681173    1.36040471
 H                  1.20157359    5.17275517    2.10970160
 H                  1.08764130    5.29112663    0.34169554
 P                 -0.63230281   -4.07711130   -0.14578506
 C                 -1.37775155   -4.90272385    1.31669538
 H                 -1.40652867   -5.98738665    1.16924050
 H                 -0.78505279   -4.67241685    2.20662958
 H                 -2.39459830   -4.52864489    1.46599986
 C                  0.99334937   -4.90518537   -0.35963380
 H                  0.86300843   -5.98965684   -0.43570113
 H                  1.47524529   -4.53137095   -1.26750606
 H                  1.63382581   -4.67463847    0.49657215
 C                 -1.63808788   -4.66677320   -1.56522260
 H                 -2.65847802   -4.28418907   -1.47241414
 H                 -1.20668164   -4.29131747   -2.49749199
 H                 -1.65988198   -5.76123485   -1.58859684
 Au                -0.47802110   -1.74693516    0.03532626
 C                  4.08325331   -0.80023053    0.26621751
 H                  4.52396439   -1.76897532    0.48543173
 C                  4.34301560    1.50600401   -0.43987426
 H                  4.97117815    2.32781402   -0.77380366
 C                  0.31932506    3.45438030    1.23565567
 Cl                -1.96858568    1.12074051    0.09769655
 C                  0.84824195    2.62614042    0.24777047
 H                 -0.08574206    3.12661371   -0.60021594
 O                 -0.88611342    3.55753393   -1.60894787
 H                 -1.64827721    3.94561017   -1.07977512
 C                 -0.33149971    4.57685075   -2.47226905
 H                  0.06962076    5.41599474   -1.89490058
 H                  0.46234131    4.10985266   -3.05502812
 H                 -1.11748460    4.93057916   -3.14441874
 H                 -2.88033492    5.53720651    0.18371477
 C                 -3.93445699    3.91137858    0.00325440
 H                 -3.87603225    3.04214592    0.66369475
 H                 -4.74448703    4.56626252    0.33295631
 H                 -4.13258865    3.57522219   -1.01788220
 O                 -2.66559587    4.60459186    0.03138146

1 F
2 F
3 F 
4 F
5 F
6 F
7 F
8 F
9 F
10 F
11 F
12 F
13 F
14 F
15 F
16 F
17 F
18 F
19 F
20 F
21 F
22 F
23 F
24 F
25 F
26 F
27 F
28 F
29 F
30 F
31 F
32 F
33 F
34 F
35 F
36 F
37 F
38 F
39 F
40 F
41 F
42 F

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

Au 0
SDD


--link1--
%nproc=20
%Mem=41GB
%chk=Cl-TS10-12.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

1 A
2 A
3 A
4 A
5 A
6 A
7 A
8 A
9 A
10 A
11 A
12 A
13 A
14 A
15 A
16 A
17 A
18 A
19 A
20 A
21 A
22 A
23 A
24 A
25 A
26 A
27 A
28 A
29 A
30 A
31 A
32 A
33 A
34 A
35 A
36 A
37 A
38 A
39 A
40 A
41 A
42 A

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

Au 0
SDD










