%nprocshared=20
%mem=41GB
%chk=Br-TS8cisoid-14.chk
#p opt=(maxstep=17,modredundant) B3LYP genecp SCRF=(PCM,Solvent=Dichloromethane) EmpiricalDispersion=GD3  nosymm scf(xqc,maxcyc=512)

opt freq

1 1
 C                  0.74520100    3.73842100    0.79498400
 C                  0.71286400    2.33264100    0.72173900
 C                  1.37100000    1.56107000    1.69411700
 C                  2.06346200    3.60662700    2.80319300
 H                  1.34974500    0.47619200    1.64895600
 H                  2.58539400    4.09372500    3.62202300
 C                 -0.03646000    1.92067200   -0.47266900
 C                 -0.09150700    0.64569200   -0.96416000
 C                  0.02035400    4.36340600   -0.36762500
 H                  0.72991700    4.84899000   -1.04898300
 H                 -0.69188500    5.13417900   -0.05428800
 C                 -0.68147900    3.16717000   -1.07738600
 H                 -0.50382200    3.18759000   -2.15591600
 C                 -2.19127000    3.16512700   -0.84011300
 C                 -3.04040000    3.35414500   -1.85448400
 H                 -2.69323300    3.47533900   -2.87732600
 H                 -4.11531700    3.39058100   -1.69438400
 C                 -2.65726000    2.96867900    0.58228300
 H                 -2.18313700    3.68445500    1.26579300
 H                 -3.74178200    3.08380500    0.66440500
 H                 -2.39072300    1.96668500    0.94428000
 P                 -0.66908600   -3.04722000    1.45190900
 C                 -0.28660900   -4.56133400    0.48767300
 H                 -0.38910500   -5.45185000    1.11628900
 H                 -0.97303500   -4.63301200   -0.36070800
 H                  0.73580400   -4.48975400    0.10660700
 C                 -2.37887700   -3.28697000    2.07067400
 H                 -2.45065700   -4.22472500    2.63107400
 H                 -2.64960100   -2.45143300    2.72217300
 H                 -3.07190000   -3.31287700    1.22528700
 C                  0.39324400   -3.16091600    2.94375800
 H                  1.44452100   -3.11769000    2.64508400
 H                  0.18063700   -2.31949900    3.60920500
 H                  0.20236900   -4.10093400    3.47174800
 Au                -0.33967200   -1.10567600    0.22353600
 C                  2.04352400    2.20447000    2.72896200
 H                  2.55018900    1.61720100    3.48932500
 C                  1.41704200    4.37854600    1.83585500
 H                  1.43731700    5.46343300    1.89220900
 H                  1.28745000    0.18857200   -1.16689900
 O                  2.36749400   -0.14978600   -1.46961300
 H                  2.30500200   -1.16403000   -1.56333900
 C                  2.77337600    0.47252900   -2.72100700
 H                  2.08666300    0.19565500   -3.52435800
 H                  2.74993100    1.54954900   -2.55597300
 H                  3.79045500    0.14870400   -2.94442300
 O                  2.02706500   -2.71902000   -1.63513100
 H                  2.83962200   -3.24596100   -1.71799100
 C                  1.10265900   -3.10716900   -2.67549700
 H                  0.22408100   -2.47117700   -2.55747100
 H                  1.53858100   -2.95161600   -3.66812100
 H                  0.81318200   -4.15463400   -2.55227000
 Br                -0.95133978    0.43975869   -2.65719841

8 40 F

C H P O 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD 
****

Br 0
LANL2DZ
Au 0
SDD


--link1--
%nprocshared=20
%Mem=41GB
%chk=Br-TS8cisoid-14.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

8 40 A

C H P O 0
6-31G*
****
Br 0
LANL2DZ
D 1 1.0
0.428 1.0
****
Au 0
SDD 
****

Br 0
LANL2DZ
Au 0
SDD










