%chk=000072408.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072408

0 1
 Br  -2.460000      -3.018100      0.2400000    
 S    3.365300       1.053400      0.8868000    
 O    1.731900     -0.1369000     -0.8302000    
 O    3.417000      -1.963600      0.4413000    
 O   -1.105000       2.699800     -0.2726000    
 N  -0.3868000      0.5163000     -0.1074000    
 N   -2.703500       1.100100     -0.1015000    
 N   -4.360000     -0.5036000      7.1500003E-02
 C   0.9955000      0.9007000     -0.1731000    
 C    1.595300       1.098200       1.211200    
 C    3.129500      0.1372000     -0.6594000    
 C    3.886600      -1.177800     -0.6422000    
 C  -0.7153000     -0.8144000      1.2200000E-02
 C   -1.382800       1.503900     -0.1664000    
 C   -1.980900      -1.231500      7.7699997E-02
 C   -3.026600     -0.1637000      1.2300000E-02
 H    1.091500       1.816700     -0.7722000    
 H    1.282200       2.037800       1.674600    
 H    1.350800      0.2731000       1.888000    
 H    3.464200      0.7568000      -1.498000    
 H    4.965700      -1.025000     -0.5365000    
 H    3.695200      -1.737000      -1.564000    
 H   9.9399999E-02  -1.527900      7.3600002E-02
 H    3.909900      -2.801600      0.4220000    
 H   -5.082000      0.2075000      2.8300000E-02
 H   -4.662500      -1.468100      0.1593000    


%chk=000072408-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072408

0 1
Br -1.935939 -3.193143 0.278239
S 3.642231 1.186388 0.751729
O 1.819490 0.500213 -1.172991
O 2.479144 -1.792324 0.441443
O -1.231967 2.815094 -0.209109
N -0.290765 0.660969 -0.056568
N -2.692450 0.975224 -0.127715
N -4.138458 -0.841862 -0.011181
C 1.062750 1.240320 -0.133758
C 1.820043 1.165779 1.212609
C 3.196766 0.176407 -0.807712
C 3.367634 -1.334689 -0.636997
C -0.450687 -0.703799 0.070297
C -1.442585 1.572665 -0.141795
C -1.716379 -1.247472 0.107113
C -2.856788 -0.359076 -0.011017
H 0.923196 2.283986 -0.461749
H 1.603544 2.049870 1.830149
H 1.597538 0.234904 1.754142
H 3.862218 0.534103 -1.613454
H 4.430196 -1.547927 -0.402472
H 3.096468 -1.829803 -1.593240
H 0.470028 -1.299375 0.123641
H 2.727843 -2.707091 0.719670
H -4.897854 -0.169052 -0.102997
H -4.330615 -1.838007 0.069022


