%mem=20000MB
%nprocshared=12
#p opt=(ts,calcfc,noeigentest,modredundant) freq=noraman b3lyp/genecp scrf=(smd,solvent=water)
empiricaldispersion=gd3

ch3c6h5-br-ts_6311+Gd

-1 1
 C                  0.55756600   -0.18941300   -0.03099000
 H                  0.57691377   -0.23367362    1.06362370
 H                  0.51221333    0.78250314   -0.52779586
 H                  0.47289331   -1.11886629   -0.59947564
 Br                -1.74160666   -0.25081733   -0.02510758
 C                  2.85136237   -0.02061405   -0.02872728
 C                  3.65577037   -1.16778205   -0.01278728
 C                  3.48185237    1.23032295   -0.01885028
 C                  5.04736637   -1.06972005    0.01841072
 H                  3.18659037   -2.14753405   -0.02691528
 C                  4.87341437    1.33411495    0.01250872
 H                  2.87644337    2.13211595   -0.03743628
 C                  5.66279537    0.18324795    0.03178572
 H                  5.65099637   -1.97195605    0.02832872
 H                  5.34043137    2.31409295    0.01791272
 H                  6.74495837    0.26169095    0.05310972

L 5 1 6 -1 B

-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



