%mem=16000MB
%nprocshared=12
#p opt=(calcfc,ts,noeigentest) freq b3lyp/genecp    
scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3
scf=(maxcyc=1000,conver=8,nosym)

ch3clbr-ts

-1 1
 C                  0.54675200    0.24857300   -0.00007800
 H                  0.78037800   -0.25570600   -0.92512700
 H                  0.78031900   -0.25465200    0.92554700
 H                  0.54397100    1.32612700   -0.00067400
 O                  2.75543900    0.69540400    0.00003700
 Br                -1.67553200   -0.05742700    0.00001100
 C                  3.39706600   -0.51870600    0.00000800
 H                  4.51036000   -0.42650300    0.00069800
 H                  3.16161700   -1.16058100   -0.88930000
 H                  3.16056500   -1.16117800    0.88860400

-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



