%chk=000022628.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022628

0 1
 Br  0.7375000      -3.803600     -1.2900000E-02
 S    4.170200      0.4166000     -6.0899999E-02
 O  -0.7804000       2.588700     -2.1700000E-02
 O   -1.865600      -2.639700      1.0600000E-02
 O    4.433200       1.060000       1.416800    
 O    4.990200     -0.7793000     -0.1600000    
 O    4.275600       1.478800      -1.045900    
 N    1.780000       2.213700     -4.2500000E-02
 C   0.1189000      0.3937000     -2.1100000E-02
 C  -0.1579000     -0.9750000     -1.3900000E-02
 C    1.446700      0.8374000     -3.5900000E-02
 C   -2.376400      0.8987000      2.0999999E-03
 C   -2.653300     -0.4702000      9.3000000E-03
 C  -0.9801000       1.380500     -1.3600000E-02
 C    2.491000     -8.8000000E-02 -4.3099999E-02
 C   -1.554100      -1.456900      1.8000000E-03
 C   0.8930000      -1.900100     -2.1000000E-02
 C    2.214700      -1.453800     -3.5599999E-02
 C   -3.427300       1.823700      9.3000000E-03
 C   -3.981200     -0.9139000      2.3800001E-02
 C   -4.749100       1.377300      2.3499999E-02
 C   -5.025400      1.1300000E-02  3.0700000E-02
 H    3.024900      -2.178300     -3.8199998E-02
 H   -3.241300       2.894300      4.0000002E-03
 H   -4.227900      -1.972100      2.9600000E-02
 H    2.741400       2.521700     -2.4499999E-02
 H    1.053400       2.915500     -3.8800001E-02
 H   -5.563900       2.095400      2.8899999E-02
 H   -6.055300     -0.3335000      4.1800000E-02
 H    4.316900      0.4403000       2.175100    


%chk=000022628-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022628

0 1
Br 0.723865 -3.884079 0.001453
S 4.267554 0.356450 0.000255
O -0.811291 2.658994 -0.075569
O -1.944538 -2.724794 0.130140
O 4.368620 0.511621 1.844513
O 5.183367 -0.881947 -0.480212
O 4.504591 1.836630 -0.636306
N 1.722889 2.225518 -0.125691
C 0.065206 0.397862 -0.030553
C -0.212280 -1.018777 0.008908
C 1.434979 0.897358 -0.063985
C -2.440756 0.913753 -0.023665
C -2.734815 -0.473352 0.024637
C -1.035860 1.389375 -0.043275
C 2.458567 -0.107830 -0.046892
C -1.648866 -1.493835 0.058019
C 0.870807 -1.938889 -0.006067
C 2.206041 -1.473564 -0.021483
C -3.495805 1.860235 -0.049378
C -4.084348 -0.906864 0.046736
C -4.834326 1.423622 -0.029282
C -5.129552 0.036250 0.018727
H 3.042602 -2.179946 -0.021670
H -3.238539 2.922711 -0.084547
H -4.282347 -1.982196 0.086055
H 2.695044 2.536138 -0.245307
H 0.908743 2.864728 -0.124086
H -5.648833 2.155166 -0.050367
H -6.171258 -0.300800 0.034372
H 5.308939 0.763660 2.082224


