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

ch3nc5h5-br-ts_6311+Gd_frozen_new

-1 1 
 C                 -0.71662300    0.00889000   -0.01724300
 H                 -0.67845100   -0.16985800    1.04169400
 H                 -0.70267600    1.01647000   -0.39223400
 H                 -0.69621200   -0.82095300   -0.70030800
 Br                -3.16736000   -0.00126300    0.00904400
 C                  2.05617900   -1.14867500   -0.02351000
 C                  2.08235900    1.16365400   -0.02284700
 C                  3.44492500   -1.20967200    0.01381800
 H                  1.44793800   -2.04715700   -0.03810800
 C                  3.47241600    1.19253800    0.01475000
 H                  1.49547500    2.07616400   -0.03720500
 C                  4.16516800   -0.01654900    0.03313800
 H                  3.94390500   -2.17128900    0.02745200
 H                  3.99329500    2.14245900    0.02928300
 C                  1.39696700    0.01517200   -0.04262700
 O                  5.59454448   -0.03292198    0.07205862
 C                  6.10837312   -0.03817928   -1.26242723
 H                  5.77593132    0.83962512   -1.77608265
 H                  7.17789059   -0.05053579   -1.23276728
 H                  5.75577046   -0.90756100   -1.77696274

-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



