%mem=40000MB
%nprocshared=24
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane)
empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3Ts-br_6311+Gd_ch2cl2

-1 1
 C                  2.25365900   -0.86117300   -0.97905100
 C                  0.89400100   -1.15254600   -0.94978300
 C                  0.10537500   -0.67820900    0.10110800
 C                  0.68089500    0.08141400    1.11425600
 C                  2.04749800    0.36695800    1.07574200
 C                  2.85474300   -0.09730300    0.03324900
 H                  2.86056500   -1.23121600   -1.80100200
 H                  0.44745200   -1.74268400   -1.74295000
 H                  0.06280500    0.45101300    1.92368300
 H                  2.48734100    0.96348100    1.86995800
 C                  4.33459800    0.18958500   -0.00184000
 H                  4.60902000    0.97970100    0.70100900
 H                  4.91268700   -0.70307900    0.26231200
 H                  4.65867000    0.49636100   -1.00067800
 S                 -1.67619000   -1.02479700    0.09992700
 O                 -2.19593600   -0.44940400    1.37236000
 O                 -1.79543800   -2.50856700    0.02171800
 O                 -2.20305500   -0.33373900   -1.11364300
 C                 -1.45153000    2.52801500   -0.51902700
 H                 -2.24759800    2.61737200   -1.25679100
 H                 -0.59126400    2.00795200   -0.93419100
 H                 -1.80885700    2.03379400    0.38137700
 Br                -0.89549095    4.29286055   -0.04548633

-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



