%chk=000078687.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078687

0 1
 Br  0.1006000       4.744100       1.164500    
 S    3.314800      -2.153400       1.364800    
 O  -0.5932000      -1.933800     -0.3680000    
 O   -4.438600       1.728600      0.2177000    
 O    2.474800      -3.278600      0.5298000    
 O    4.579100      -2.760800       1.747900    
 O    2.431800      -1.575900       2.364000    
 N    1.309500     -0.2186000      0.1277000    
 N   -2.756500       3.613700      0.7402000    
 C   -1.102800      0.3318000      0.1063000    
 C   -2.107000       1.290000      0.2600000    
 C   0.2396000      0.6950000      0.2682000    
 C   -2.865900      -1.435400     -0.3950000    
 C   -3.870000     -0.4771000     -0.2414000    
 C   -1.445600      -1.066000     -0.2268000    
 C   -3.527200      0.9205000      9.1799997E-02
 C   -1.768700       2.611400      0.5757000    
 C    2.643200     -6.3100003E-02 -0.2893000    
 C   0.5722000       2.012900      0.5827000    
 C  -0.4298000       2.969100      0.7361000    
 C    3.658700     -0.8884000      0.2036000    
 C   -3.204100      -2.756700     -0.7112000    
 C   -5.212400     -0.8401000     -0.4039000    
 C    2.956300      0.9377000      -1.213900    
 C    4.272500       1.111900      -1.641700    
 C    4.974900     -0.7141000     -0.2244000    
 C   -4.543200      -3.114200     -0.8721000    
 C   -5.545100      -2.158000     -0.7188000    
 C    5.281700      0.2861000      -1.146900    
 C    4.600400       2.181600      -2.627600    
 H    1.063700      -1.170500      0.3784000    
 H    1.607100       2.304600      0.7453000    
 H   -2.443600      -3.522600     -0.8366000    
 H   -6.014300     -0.1155000     -0.2903000    
 H    2.181700       1.575300      -1.633200    
 H    5.784300      -1.340100      0.1389000    
 H   -4.804900      -4.139400      -1.117400    
 H    6.311400      0.4124000      -1.470800    
 H   -6.586800      -2.438900     -0.8447000    
 H   -2.472200       4.557800      0.9676000    
 H   -3.738300       3.404900      0.6337000    
 H    4.698600       3.145100      -2.117600    
 H    5.538500       1.969700      -3.151900    
 H    3.818100       2.262500      -3.389900    
 H    2.954200      -3.688200     -0.2283000    


%chk=000078687-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000078687

0 1
Br -0.014763 4.909784 0.776080
S 2.966629 -2.331069 1.002032
O -0.468662 -1.991448 -0.462256
O -4.548726 1.663324 0.336591
O 2.026789 -3.248776 -0.296982
O 4.249068 -3.232613 1.375718
O 1.929947 -1.846367 2.149788
N 1.284149 -0.132095 -0.408352
N -2.858821 3.582945 0.564256
C -1.099161 0.321558 -0.114901
C -2.162693 1.271723 0.125224
C 0.268967 0.775275 -0.150792
C -2.815581 -1.546819 -0.245278
C -3.865001 -0.605399 -0.041211
C -1.407705 -1.103933 -0.282315
C -3.568305 0.835212 0.151139
C -1.868714 2.664900 0.354970
C 2.669802 0.083662 -0.540730
C 0.552070 2.151894 0.138767
C -0.476166 3.046207 0.376333
C 3.583507 -0.875852 -0.027890
C -3.126465 -2.921117 -0.419136
C -5.211480 -1.049223 -0.013963
C 3.230933 1.174505 -1.261630
C 4.627588 1.309696 -1.442341
C 4.970866 -0.787464 -0.208820
C -4.464935 -3.352519 -0.389981
C -5.511034 -2.413406 -0.186865
C 5.493292 0.315219 -0.913494
C 5.193112 2.496357 -2.199802
H 0.902226 -1.111122 -0.483446
H 1.588513 2.486226 0.209777
H -2.303678 -3.624256 -0.576427
H -5.996108 -0.303946 0.146076
H 2.557715 1.896063 -1.735731
H 5.617784 -1.568147 0.204492
H -4.701012 -4.413338 -0.524148
H 6.575188 0.400785 -1.060242
H -6.552128 -2.752508 -0.164064
H -2.626316 4.557697 0.751008
H -3.828335 3.209283 0.549822
H 5.617884 3.241340 -1.499883
H 6.006711 2.188906 -2.880152
H 4.420262 3.006821 -2.798887
H 1.040287 -3.160665 -0.099153


