%mem=40000MB
%nprocshared=20
#p opt freq b3lyp/genecp scrf=(smd,solvent=dichloromethane) empiricaldispersion=gd3 scf=(maxcyc=1000,conver=8,nosym)

ch3Ts-br_6311+Gd-opt_ch2cl2

-1 1
 C	-2.876989000	 0.522224000	-1.124887000
 C	-1.524710000	 0.480789000	-1.438446000
 C	-0.628101000	 1.176019000	-0.624744000
 C	-1.056764000	 1.896963000	 0.488534000
 C	-2.416702000	 1.923718000	 0.782479000
 C	-3.344154000	 1.242245000	-0.014970000
 H	-3.582791000	-0.012389000	-1.752074000
 H	-1.176602000	-0.078274000	-2.298693000
 H	-0.347762000	 2.425146000	 1.113847000
 H	-2.759413000	 2.481991000	 1.647183000
 C	-4.815566000	 1.298609000	 0.290534000
 H	-4.999886000	 1.568167000	 1.332229000
 H	-5.305640000	 2.050481000	-0.337565000
 H	-5.301329000	 0.341625000	 0.085813000
 S	 1.109998000	 1.075253000	-0.980769000
 O	 1.806043000	 2.177656000	-0.310528000
 O	 1.322642000	 0.870637000	-2.413198000
 O	 1.586180000	-0.326490000	-0.319525000
 C	 1.508929000	-0.453863000	 1.145238000
 H	 2.090786000	 0.329943000	 1.622724000
 H	 0.471357000	-0.422502000	 1.469236000
 H	 1.939409000	-1.427954000	 1.353713000
 Br	 1.099867000	-0.659514000	 4.580068000

-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



