%chk=000135839.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135839

0 1
 Br  -8.954800      -1.023300     -0.1856000    
 S    5.497600      -2.859600     -0.5362000    
 O    6.757700      -3.466700      0.3030000    
 O    5.979200      -2.377400      -1.817700    
 O    4.385600      -3.788000     -0.4436000    
 N    2.858800       1.524700      0.1439000    
 N  -0.7932000      -1.230200       1.758100    
 N   -2.640700      0.5321000      0.5180000    
 N   -3.011200     -0.1815000     -0.4426000    
 N   -5.179000      0.4850000     -0.9831000    
 C    3.829600      0.6600000      0.7715000    
 C    4.117500     -0.5594000     -9.8600000E-02
 C    3.337000       2.694600     -0.5946000    
 C    1.483300       1.271500      0.2411000    
 C    5.171000      -1.475600      0.5099000    
 C    3.279500       3.944400      0.2775000    
 C    1.018800      0.1551000      0.9450000    
 C   0.5628000       2.133000     -0.3656000    
 C    3.809500       5.183500     -0.4308000    
 C  -0.3497000     -9.6699998E-02   1.041400    
 C  -0.8058000       1.881000     -0.2693000    
 C   -1.262000      0.7662000      0.4340000    
 C   -4.394200     -0.4164000     -0.3578000    
 C   -4.862100      -1.516500      0.3356000    
 C   -6.238400      -1.706200      0.3919000    
 C   -6.511100      0.2677000     -0.9067000    
 C   -7.085600     -0.8016000     -0.2386000    
 H    3.538400      0.3743000       1.789300    
 H    4.770700       1.209000      0.9122000    
 H    3.202900      -1.134600     -0.2826000    
 H    4.454700     -0.2213000      -1.087300    
 H    2.815700       2.828800      -1.549400    
 H    4.382900       2.528900     -0.8875000    
 H    6.112800     -0.9326000      0.6395000    
 H    4.844500      -1.860400       1.481000    
 H    2.256700       4.146200      0.6130000    
 H    3.870600       3.781800       1.187600    
 H    1.689300     -0.5451000       1.433200    
 H   0.8479000       3.017300     -0.9246000    
 H    4.852500       5.045200     -0.7326000    
 H    3.218100       5.403500      -1.325200    
 H    3.759400       6.051700      0.2336000    
 H   -1.509100       2.560200     -0.7447000    
 H    7.593300      -2.945600      0.2503000    
 H  -0.1241000      -1.850800       2.193700    
 H   -1.783600      -1.421600       1.831200    
 H   -4.189200      -2.214200      0.8221000    
 H   -6.635000      -2.562900      0.9302000    
 H   -7.116600       1.009300      -1.419100    


%chk=000135839-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135839

0 1
Br -9.261859 -1.614604 0.434733
S 6.229738 -2.672960 0.348298
O 7.446032 -2.925510 1.745135
O 7.018364 -2.353714 -1.027897
O 5.106857 -3.838039 0.372932
N 2.842523 1.454819 -0.008751
N -0.684308 -1.477383 1.747429
N -2.560594 -0.177318 0.372837
N -3.511822 0.441840 -0.303130
N -5.085497 -1.108948 0.777819
C 3.872546 0.839548 0.837105
C 4.460765 -0.463712 0.208572
C 3.304933 2.498866 -0.950889
C 1.501420 1.059252 0.068158
C 5.535915 -1.049808 1.119501
C 3.221435 3.936964 -0.380686
C 1.099956 -0.034209 0.885797
C 0.491792 1.769833 -0.685244
C 3.748235 4.982329 -1.386523
C -0.261228 -0.423236 0.972044
C -0.844488 1.388721 -0.608010
C -1.263320 0.298568 0.210185
C -4.820059 -0.078257 -0.093692
C -5.848442 0.552824 -0.851280
C -7.178900 0.113751 -0.713802
C -6.368606 -1.528970 0.909193
C -7.435845 -0.945585 0.183566
H 3.459715 0.624770 1.840364
H 4.687654 1.573552 0.979810
H 3.645238 -1.192564 0.051012
H 4.889163 -0.223742 -0.782315
H 2.733427 2.429880 -1.894168
H 4.357424 2.276575 -1.215395
H 6.438605 -0.427226 1.224332
H 5.171789 -1.388346 2.102568
H 2.172857 4.161404 -0.109233
H 3.805990 3.988092 0.559172
H 1.834590 -0.613470 1.452822
H 0.766179 2.624609 -1.307528
H 4.805869 4.791445 -1.649749
H 3.161058 4.968424 -2.323980
H 3.685466 6.002032 -0.967489
H -1.616215 1.924275 -1.170045
H 7.950595 -3.771088 1.571486
H -0.041936 -2.044730 2.292082
H -1.688758 -1.679065 1.728462
H -5.579898 1.368580 -1.528124
H -7.987756 0.578747 -1.284134
H -6.553698 -2.350417 1.610648


