%nprocshared=20
%mem=41GB
%chk=Cl-5exoH.chk
#p opt=(maxstep=17,modredundant) B3LYP gen SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  0.34152822   -1.52229653   -0.74169247
 C                 -0.75250101   -1.00987176   -0.00688932
 C                 -1.52951758   -1.85824252    0.81263027
 C                 -0.17974447   -3.73210606    0.11178544
 H                 -2.35417442   -1.43966567    1.38060064
 H                  0.05141019   -4.79206945    0.15819676
 C                 -1.06683799    0.37149365   -0.11968839
 C                 -1.80321531    1.41141531   -0.20270419
 C                  1.19349575   -0.54973131   -1.53431581
 H                  0.80054250   -0.49022613   -2.55735797
 H                  2.21071813   -0.95013350   -1.62053122
 C                  1.21049808    0.84749945   -0.93924713
 H                  0.91007072    1.65802749   -1.59872658
 C                  1.69547277    1.17482719    0.28837556
 C                  2.22784907    0.16813872    1.27191954
 H                  3.27961608    0.39274615    1.49320546
 H                  1.68618198    0.24383511    2.22383812
 H                  2.16588387   -0.86373913    0.92342980
 C                  1.76941952    2.60658944    0.74809561
 H                  1.15404437    2.76053940    1.64350994
 H                  2.80188303    2.85184405    1.03035470
 H                  1.43964909    3.30886550   -0.02083980
 C                 -1.24819508   -3.21895485    0.85603817
 H                 -1.84940836   -3.87551683    1.47678923
 C                  0.61255742   -2.88644975   -0.67192688
 H                  1.45989732   -3.29026150   -1.21882603
 Cl                -1.51717946    3.09610726   -0.12718749
 H                 -2.78912010    1.03806517   -0.38573814

7 12 F
7 14 F

C H Cl 0
6-31G*
****

--link1--
%nproc=20
%Mem=41GB
%Chk=Cl-5exoH.chk
#p opt=(ts,noeigentest,calcfc,modredundant,maxstep=9) freq=noraman geom=checkpoint guess=read SCRF=(PCM,Solvent=Dichloromethane) B3LYP gen EmpiricalDispersion=GD3 nosymm scf(xqc,maxcyc=512) gfinput gfprint

opt freq

1 1

7 12 A
7 14 A

C H Cl 0
6-31G*
****








