%chk=000063962.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063962

0 1
 Br  -3.312100      -3.607700     -5.4699998E-02
 Br  -6.606800      0.9715000      0.4330000    
 S    2.054800      -1.814600      0.7246000    
 O   -1.467400       2.576400     -0.1752000    
 O    1.362800       1.323900       1.892600    
 N  -9.2100002E-02  0.6824000     -0.4406000    
 N   -1.086900      -1.477700     -0.3719000    
 C    3.538100      -2.626100      7.8299999E-02
 C    1.252400      -1.418400     -0.8346000    
 C  -4.9100000E-02 -0.7119000     -0.5144000    
 C    4.300400      -1.629000     -0.7992000    
 C    4.404800      -3.062200       1.263100    
 C    3.111600      -3.844600     -0.7452000    
 C   -2.509400      0.4960000     -0.1386000    
 C    1.098000       1.487000     -0.4864000    
 C   -1.318000       1.360500     -0.2717000    
 C   -2.338700     -0.8880000     -0.1699000    
 C    1.790100       1.782700      0.6821000    
 C   -3.780200       1.055300      4.1000001E-02
 C    1.543600       1.961600      -1.714600    
 C   -3.459700      -1.712600     -1.9099999E-02
 C   -4.888500      0.2228000      0.1893000    
 C   -4.728900      -1.160500      0.1605000    
 C    2.944100       2.564100      0.6216000    
 C    2.697600       2.743000      -1.775000    
 C    3.397800       3.044300     -0.6069000    
 C    2.141800       1.681800       3.031900    
 H    1.865400     -0.7878000      -1.475600    
 H   0.9940000      -2.328400      -1.382900    
 H    3.818700      -1.435500      -1.762000    
 H    5.291600      -2.031000      -1.045300    
 H    4.467700     -0.6719000     -0.2909000    
 H    3.878200      -3.771100       1.913100    
 H    4.717300      -2.207000       1.874400    
 H    5.317500      -3.560500      0.9156000    
 H    2.427800      -4.499800     -0.1927000    
 H    3.991300      -4.450100     -0.9984000    
 H    2.651100      -3.584300      -1.702900    
 H   -3.909000       2.134500      6.8099998E-02
 H    1.005400       1.731800      -2.630200    
 H   -5.595200      -1.808300      0.2768000    
 H    3.540100       2.838700       1.484900    
 H    3.051100       3.116300      -2.731600    
 H    4.296500       3.652500     -0.6553000    
 H    1.658200       1.232500       3.905700    
 H    2.146600       2.765000       3.194600    
 H    3.152100       1.261800       2.978900    


%chk=000063962-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063962

0 1
Br -3.749040 -3.534656 -0.292884
Br -6.634616 1.356404 0.798622
S 2.059900 -1.910967 0.717527
O -1.252717 2.592629 -0.048341
O 1.112800 1.327393 1.821913
N -0.145123 0.559297 -0.462002
N -1.315654 -1.546244 -0.485121
C 3.761010 -2.520376 0.003926
C 1.071324 -1.606309 -0.887968
C -0.195040 -0.843997 -0.595751
C 4.461224 -1.371946 -0.750411
C 4.552971 -2.908489 1.273405
C 3.538500 -3.750327 -0.899842
C -2.557000 0.544038 -0.025481
C 1.106212 1.291681 -0.556156
C -1.317109 1.338819 -0.161691
C -2.506457 -0.877764 -0.199272
C 1.755519 1.691082 0.645224
C -3.767955 1.217378 0.269323
C 1.642984 1.638544 -1.808221
C -3.733423 -1.599718 -0.066611
C -4.939921 0.463314 0.391651
C -4.940383 -0.945959 0.226507
C 2.969805 2.415351 0.567050
C 2.856012 2.360621 -1.887473
C 3.511767 2.742091 -0.696459
C 1.771932 1.644345 3.091724
H 1.728466 -1.061646 -1.582436
H 0.776209 -2.581007 -1.299385
H 3.882952 -1.038580 -1.630953
H 5.450545 -1.713554 -1.114461
H 4.610853 -0.497829 -0.093601
H 4.046744 -3.717216 1.829728
H 4.677043 -2.042928 1.949118
H 5.560082 -3.264923 0.984380
H 2.999623 -4.546266 -0.357093
H 4.516444 -4.152430 -1.230619
H 2.962147 -3.496874 -1.807503
H -3.747229 2.303694 0.390667
H 1.098733 1.354079 -2.715613
H -5.866609 -1.516834 0.325729
H 3.487574 2.732126 1.476925
H 3.271655 2.631228 -2.862820
H 4.448825 3.307800 -0.745918
H 1.103990 1.241329 3.866003
H 1.879486 2.737944 3.222178
H 2.761449 1.153049 3.156788


