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

ch3br-sime3-ts_6311+Gd_frozen_new

-1 1
 C	 1.101867000	 0.013262000	 0.008324000
 H	 1.113107000	 1.084609000	 0.033798000
 H	 1.111448000	-0.544265000	 0.923624000
 H	 1.135374000	-0.500385000	-0.931644000
 Br	 3.374352000	 0.026937000	 0.038408000
 Si	-1.366044000	-0.000447000	-0.017318000
 C	-2.161509000	 0.843798000	 1.509881000
 H	-1.863253000	 0.352914000	 2.443966000
 H	-1.863973000	 1.896098000	 1.590818000
 H	-3.259700000	 0.817639000	 1.463344000
 C	-2.150205000	 0.897318000	-1.519671000
 H	-1.854494000	 1.952494000	-1.559264000
 H	-1.843376000	 0.441862000	-2.468772000
 H	-3.248672000	 0.867172000	-1.482891000
 C	-2.143571000	-1.753236000	-0.050448000
 H	-1.836728000	-2.315578000	-0.940393000
 H	-1.843958000	-2.345054000	 0.822693000
 H	-3.242251000	-1.710209000	-0.054239000

-H -C -N -O -P -B -S -Al -Cl -F -He -Si -As -Se 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


