%chk=000070386.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070386

0 1
 Br  -3.029900       2.591000       1.659000    
 Br  -3.831800      -3.565800      0.1727000    
 S    3.748500     -9.3300000E-02  0.1544000    
 O    4.330300       1.033500     -0.5613000    
 O    4.092100     -0.3180000       1.551600    
 N   -2.170200      0.2467000     -0.3030000    
 N    4.060800      -1.525100     -0.7241000    
 C  -0.7664000      0.1665000     -0.1945000    
 C   -2.793500       1.394800     -0.9311000    
 C   -3.007700     -0.8243000      0.1995000    
 C   4.3200001E-02  0.7739000      -1.154200    
 C  -0.1876000     -0.5206000      0.8726000    
 C    2.010500      7.0000002E-03  2.0000000E-02
 C    1.431700      0.6940000      -1.047000    
 C    1.200900     -0.6003000      0.9798000    
 C   -2.439900       2.673900     -0.1972000    
 C   -2.691300      -2.133600     -0.4972000    
 H   -2.513200       1.467000      -1.988100    
 H   -3.885700       1.285900     -0.9376000    
 H   -2.911200     -0.9185000       1.288000    
 H   -4.068300     -0.5913000      3.8899999E-02
 H  -0.3647000       1.301000      -2.010900    
 H  -0.7802000     -0.9925000       1.650000    
 H    2.043300       1.165200      -1.811400    
 H    1.630400      -1.142500       1.817500    
 H   -1.371400       2.897300     -0.1690000    
 H   -2.959100       3.529200     -0.6395000    
 H   -2.875500      -2.072100      -1.574100    
 H   -1.668700      -2.482900     -0.3377000    
 H    4.518800      -1.432800      -1.639000    
 H    4.354000      -2.355100     -0.1944000    


%chk=000070386-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000070386

0 1
Br -4.025289 2.828089 1.019287
Br -4.308608 -3.292026 0.793278
S 3.951297 -0.225852 0.209346
O 4.589477 1.200870 -0.255966
O 4.289057 -0.945385 1.632661
N -2.104142 0.234818 -0.249140
N 4.428199 -1.439733 -1.103249
C -0.707346 0.129917 -0.142359
C -2.726916 1.241810 -1.123270
C -3.000445 -0.683703 0.483978
C 0.160784 1.002855 -0.877267
C -0.102719 -0.852077 0.709977
C 2.099062 -0.094294 0.061168
C 1.558077 0.888695 -0.781691
C 1.293200 -0.962848 0.815244
C -2.754705 2.671395 -0.554104
C -3.133309 -2.023660 -0.266585
H -2.197938 1.280102 -2.098519
H -3.759635 0.922979 -1.345821
H -2.635062 -0.850002 1.512137
H -3.990154 -0.210465 0.584878
H -0.244102 1.779720 -1.529907
H -0.717951 -1.533405 1.302396
H 2.217856 1.568478 -1.330304
H 1.748923 -1.696735 1.487499
H -1.780436 2.995079 -0.160656
H -3.134681 3.389620 -1.297758
H -3.630062 -1.910177 -1.242121
H -2.171786 -2.544463 -0.384537
H 5.080499 -0.957630 -1.744912
H 4.857054 -2.253773 -0.630982


