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

ch3oh-br_6311+Gd

-1 1
 C	 2.750224000	 0.102908000	 0.000052000
 H	 2.317398000	-0.366225000	 0.891752000
 H	 2.481566000	 1.161801000	-0.000839000
 H	 2.317443000	-0.367680000	-0.890896000
 O	 4.188234000	 0.036291000	 0.000173000
 H	 4.447409000	-0.900272000	-0.000385000
 Br	-0.872787000	 0.043630000	-0.000170000

-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


