%mem=16000MB
%nprocshared=12
#p opt=(ts,calcfc,noeigentest,maxstep=4) freq b3lyp/genecp scrf=(smd,solvent=water) empiricaldispersion=gd3

ch3f-br-ts_6311+Gd_new

-1 1
 C	 0.616877000	 0.002777000	-0.001208000
 H	 0.652521000	-0.636243000	-0.863674000
 H	 0.652379000	 1.069206000	-0.123577000
 H	 0.651976000	-0.424185000	 0.983436000
 Br	-1.820063000	-0.000989000	 0.001282000
 F	 2.619563000	-0.002524000	 0.004381000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si 0
6-311+g*
****
Br     0
S   2   1.00
1.1590000             -3.0378769
0.7107000              3.3703735
S   1   1.00
0.1905000              1.0000000
P   2   1.00
2.6910000             -0.1189800
0.4446000              1.0424471
P   1   1.00
0.1377000              1.0000000
P   1   1.00
0.0376                 1.0
D   1   1.00
0.4340                 1.0
****

BR     0
BR-ECP     3     28
f potential
4
1    213.6143969            -28.0000000
2     41.0585380           -134.9268852
2      8.7086530            -41.9271913
2      2.6074661             -5.9336420
s-f potential
4
0     54.1980682              3.0000000
1     32.9053558             27.3430642
2     13.6744890            118.8028847
2      3.0341152             43.4354876
p-f potential
5
0     54.2563340              5.0000000
1     26.0095593             25.0504252
2     28.2012995             92.6157463
2      9.4341061             95.8249016
2      2.5321764             26.2684983
d-f potential
5
0     87.6328721              3.0000000
1     61.7373377             22.5533557
2     32.4385104            178.1241988
2      8.7537199             76.9924162
2      1.6633189              9.4818270


