%chk=000039699.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039699

0 1
 Br  -3.462900      -3.912700     -0.2379000    
 S   -3.685100       2.550900     -0.2149000    
 O    1.650900      -1.089900      0.1599000    
 O    1.030000       1.633300      0.7872000    
 O   0.6843000       2.040500      -1.474900    
 N   -1.001000       2.434500      7.0699997E-02
 C    2.422100      -2.315600     -6.0000003E-04
 C    3.859400      -1.946300     -0.4365000    
 C    3.865200     -0.5024000     -0.1105000    
 C    2.580900     -8.4700003E-02  0.1946000    
 C    2.411700      -3.051600       1.345200    
 C    1.723000      -3.164400      -1.063700    
 C    4.917700      0.3950000     -0.1270000    
 C    2.292500       1.233100      0.4934000    
 C    4.651700       1.731700      0.1806000    
 C    3.346400       2.148400      0.4882000    
 C   0.2641000       2.046500     -0.3216000    
 C   -2.016500       2.909200     -0.8474000    
 C   -3.631600      0.7647000     -0.1834000    
 C   -3.804900      4.6000000E-02   1.000200    
 C   -3.408000      8.7499999E-02  -1.382700    
 C   -3.754700      -1.347900      0.9842000    
 C   -4.046100      0.7250000       2.310600    
 C   -3.357900      -1.306400      -1.398600    
 C   -3.531300      -2.024100     -0.2151000    
 H    4.013100      -2.082000      -1.512600    
 H    4.623900      -2.505400      0.1113000    
 H    2.948900      -4.003800       1.285700    
 H    2.872200      -2.442900       2.131600    
 H    1.384300      -3.250700       1.670800    
 H    2.251400      -4.107300      -1.237100    
 H   0.6925000      -3.390700     -0.7667000    
 H    1.656600      -2.621500      -2.013500    
 H    5.924100      7.6300003E-02 -0.3760000    
 H    5.460300       2.457500      0.1769000    
 H    3.163200       3.194400      0.7211000    
 H   -1.223000       2.419200       1.061000    
 H   -1.899900       3.994500     -0.9228000    
 H   -1.860400       2.484200      -1.843100    
 H   -3.281100      0.6205000      -2.321600    
 H   -3.889000      -1.910300       1.905500    
 H   -3.201500       1.371000       2.572300    
 H   -4.966100       1.317600       2.275800    
 H   -4.161800      4.6000001E-03   3.128300    
 H   -3.184900      -1.818300      -2.341800    


%chk=000039699-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039699

0 1
Br -3.488471 -4.137545 -1.044660
S -3.256377 2.174113 0.934021
O 1.688135 -0.651442 0.178251
O 1.643108 2.296682 0.465857
O 0.337969 1.761173 -1.447263
N -0.543616 2.871707 0.433379
C 2.212855 -2.102779 0.167511
C 3.608957 -2.010690 -0.540044
C 3.942216 -0.526973 -0.495623
C 2.776813 0.171920 -0.102811
C 2.333279 -2.514727 1.644316
C 1.176924 -2.927000 -0.600175
C 5.125307 0.171195 -0.789282
C 2.777151 1.576861 -0.013751
C 5.131416 1.587201 -0.689205
C 3.961174 2.283767 -0.307699
C 0.447610 2.248927 -0.300268
C -1.889936 3.050211 -0.065448
C -3.244331 0.425423 0.344502
C -4.253200 -0.420749 0.896896
C -2.319821 -0.075509 -0.598448
C -4.307127 -1.770884 0.470425
C -5.256343 0.093486 1.911882
C -2.389641 -1.422740 -1.020221
C -3.384182 -2.254618 -0.477026
H 3.542125 -2.367604 -1.585806
H 4.357152 -2.634252 -0.019295
H 2.650762 -3.570893 1.724623
H 3.075887 -1.885659 2.166768
H 1.360817 -2.401598 2.152903
H 1.496144 -3.984115 -0.653247
H 0.194583 -2.885278 -0.099682
H 1.062203 -2.543357 -1.628815
H 6.030889 -0.365670 -1.092080
H 6.044607 2.148952 -0.909438
H 3.952914 3.375263 -0.226484
H -0.308038 3.169969 1.381249
H -2.204946 4.104009 0.013418
H -1.933434 2.729900 -1.116951
H -1.524085 0.544978 -1.021741
H -5.075910 -2.431491 0.883058
H -4.751440 0.467730 2.823097
H -5.843285 0.937930 1.502564
H -5.960183 -0.700364 2.211943
H -1.673927 -1.798260 -1.756100


