%chk=000064095.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064095

0 1
 Br   2.994200      -3.558500       1.402000    
 Br   6.367600      0.1753000      -1.194200    
 S   -2.221500      -2.118700     -0.5252000    
 O  -0.7750000       2.397800       1.937400    
 O    1.316800       2.135900      -1.132000    
 N  -0.1096000      0.5662000     -0.1070000    
 N   0.8182000      -1.467200      0.7090000    
 C  -0.1993000     -0.6899000      0.4978000    
 C    2.281400      0.1519000     -0.3913000    
 C   -1.241800       1.444700     -0.2147000    
 C    1.122300       1.044500     -0.6019000    
 C   -1.549800      -1.248400      0.8973000    
 C    2.083200      -1.055800      0.2778000    
 C   -1.540200       2.334000      0.8111000    
 C    3.557200      0.5237000     -0.8320000    
 C   -2.030700       1.390200      -1.358100    
 C    3.181400      -1.894000      0.5025000    
 C   -3.786500      -2.671000      0.1974000    
 C   -4.578400      -3.496300     -0.8105000    
 C    4.642500     -0.3206000     -0.6020000    
 C    4.455500      -1.528400      6.5800004E-02
 C   -2.642500       3.180500      0.6919000    
 C   -3.133000       2.236600      -1.477200    
 C   -3.439000       3.131500     -0.4521000    
 C   -5.895900      -3.971300     -0.2151000    
 C   0.3228000       3.307600       1.923500    
 H   -2.234500     -0.4635000       1.223100    
 H   -1.415100      -1.952300       1.725400    
 H    3.708600       1.467400      -1.350200    
 H   -1.796700      0.7041000      -2.167400    
 H   -4.365900      -1.793100      0.5020000    
 H   -3.574500      -3.271300       1.088300    
 H   -4.791600      -2.902300      -1.707600    
 H   -3.999400      -4.372600      -1.126500    
 H    5.303800      -2.185600      0.2444000    
 H   -2.887200       3.880100       1.486500    
 H   -3.752000       2.199900      -2.368900    
 H   -4.297100       3.790700     -0.5450000    
 H   -6.520200      -3.122900      8.2699999E-02
 H   -6.452700      -4.561400     -0.9497000    
 H   -5.724900      -4.598700      0.6655000    
 H   0.3560000       3.819800       2.889100    
 H   0.2340000       4.058800       1.131100    
 H    1.253000       2.747400       1.796600    


%chk=000064095-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064095

0 1
Br 3.942263 -3.326514 1.587438
Br 6.557278 0.522121 -1.846625
S -1.924511 -2.692309 0.070589
O -0.693828 1.954818 1.679272
O 1.123144 1.775405 -1.554070
N 0.122023 0.139689 -0.190610
N 1.407244 -1.607411 0.858146
C 0.252337 -0.992833 0.638409
C 2.532273 0.035598 -0.610843
C -1.153256 0.813204 -0.363858
C 1.252309 0.739257 -0.845926
C -0.975468 -1.564304 1.292476
C 2.558910 -1.116944 0.240989
C -1.555995 1.787310 0.591993
C 3.704586 0.532177 -1.231996
C -1.942052 0.561481 -1.499765
C 3.822425 -1.754825 0.443249
C -3.695480 -2.073841 0.383754
C -4.654125 -2.758802 -0.605423
C 4.915079 -0.130795 -1.003120
C 4.991495 -1.275670 -0.168459
C -2.768711 2.493120 0.400210
C -3.153837 1.263270 -1.692142
C -3.558752 2.225457 -0.740821
C -6.115622 -2.305469 -0.384480
C -1.002312 3.021344 2.639703
H -1.678103 -0.782446 1.617221
H -0.655320 -2.179832 2.143383
H 3.625580 1.416832 -1.869601
H -1.599569 -0.183045 -2.224007
H -3.699302 -0.978896 0.240140
H -3.963729 -2.313658 1.427923
H -4.339994 -2.521902 -1.640338
H -4.582779 -3.857942 -0.492405
H 5.946763 -1.779514 -0.002745
H -3.094648 3.247751 1.121743
H -3.764533 1.068763 -2.578980
H -4.492468 2.779970 -0.885745
H -6.217587 -1.211782 -0.514728
H -6.792381 -2.798045 -1.105720
H -6.463666 -2.560049 0.634021
H -0.177394 2.995715 3.365785
H -1.962538 2.831268 3.156759
H -1.032251 4.007077 2.138805


