%chk=000064093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064093

0 1
 Br  -7.529800      -1.842600     -0.1229000    
 S   -1.766800       3.602900     -0.6956000    
 O   0.4322000     -6.7000002E-02  2.9800000E-02
 O   -3.770600       2.055700      3.9099999E-02
 O    7.336600     -0.5046000       1.020900    
 O    7.303900     -0.4870000      -1.174000    
 N   -1.637300       1.055100      4.0199999E-02
 N   -1.459600      -1.323100      9.8399997E-02
 N   0.1942000       2.566900      0.6325000    
 N    6.717500     -0.5757000     -6.8300001E-02
 C   -3.673900     -0.2733000     -6.0999999E-03
 C   -2.858100      -1.407600      5.9999999E-02
 C  -0.9223000     -0.1464000      7.7299997E-02
 C   -3.042300       1.067600      4.1999999E-03
 C    1.067200      -1.330600      9.9999998E-03
 C    2.554200      -1.131000     -1.0400000E-02
 C   -5.067200     -0.3991000     -5.9999999E-02
 C   -3.457600      -2.672500      7.0299998E-02
 C  -0.9643000       2.301000      7.8100003E-02
 C   -5.649400      -1.665800     -5.0099999E-02
 C   -4.846000      -2.801600      1.5799999E-02
 C    3.254300      -1.049400       1.187800    
 C    3.218400      -1.030300      -1.227700    
 C    4.636800     -0.8646000       1.168700    
 C    4.600800     -0.8456000      -1.247100    
 C    5.310100     -0.7628000     -4.8700001E-02
 C  -0.4626000       4.627700     -0.2597000    
 C   0.4816000       3.903800      0.4376000    
 H   0.7723000      -1.901600     -0.8809000    
 H   0.8033000      -1.918500      0.8997000    
 H   -5.699300      0.4842000     -0.1089000    
 H   -2.843000      -3.568400      0.1181000    
 H   -5.283900      -3.796500      2.4599999E-02
 H    2.739500      -1.125000       2.141700    
 H    2.675200      -1.091200      -2.166800    
 H    5.156400     -0.8041000       2.121600    
 H    5.091800     -0.7700000      -2.214000    
 H  -0.4484000       5.674900     -0.5257000    
 H    1.405600       4.306700      0.8296000    


%chk=000064093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064093

0 1
Br -7.699574 -1.805945 0.726167
S -1.042031 3.480068 -1.050827
O 0.308986 -0.115378 -0.561227
O -3.643686 2.071117 0.591639
O 6.955061 0.607493 1.257421
O 7.568172 -1.004580 -0.235366
N -1.660670 0.935664 0.028018
N -1.625779 -1.444713 -0.399807
N -0.052971 2.364677 1.162952
N 6.678373 -0.301432 0.382924
C -3.756817 -0.330979 0.201733
C -3.004494 -1.501084 -0.133313
C -1.030148 -0.278401 -0.312887
C -3.089365 0.982005 0.300275
C 1.100872 -1.343267 -0.825755
C 2.550269 -1.025919 -0.527670
C -5.150068 -0.415181 0.456727
C -3.672264 -2.752706 -0.206759
C -0.899699 2.131090 0.177022
C -5.778023 -1.664277 0.376558
C -5.050975 -2.838671 0.046528
C 2.904066 -0.046162 0.435109
C 3.567614 -1.759514 -1.190064
C 4.257950 0.196326 0.736714
C 4.925145 -1.533333 -0.894507
C 5.250019 -0.553934 0.068846
C 0.161148 4.366687 -0.070858
C 0.548925 3.620306 1.031029
H 0.946699 -1.641482 -1.878299
H 0.708241 -2.153436 -0.182535
H -5.694074 0.498864 0.711820
H -3.090627 -3.642173 -0.464276
H -5.563501 -3.803193 -0.009977
H 2.116290 0.529993 0.930005
H 3.300155 -2.509875 -1.943103
H 4.557257 0.946995 1.472715
H 5.726024 -2.085805 -1.392297
H 0.478676 5.365468 -0.362108
H 1.264326 3.945286 1.786530


