%chk=000039698.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039698

0 1
 Br   3.745900      -3.796300     -3.8000001E-03
 S    3.792400       2.665300     -9.8300003E-02
 O   -1.469600      -1.100100     -0.1485000    
 O  -0.9360000       1.614500     -0.8839000    
 O  -0.5119000       2.101000       1.348900    
 N    1.102500       2.481800     -0.2736000    
 C   -2.205800      -2.336500      8.0499999E-02
 C   -3.633200      -1.984500      0.5613000    
 C   -3.684600     -0.5522000      0.1911000    
 C   -2.423000     -0.1169000     -0.1774000    
 C   -2.230900      -3.114600      -1.241100    
 C   -1.446700      -3.135600       1.140800    
 C   -4.755900      0.3223000      0.2214000    
 C   -2.176600       1.196600     -0.5282000    
 C   -4.532700       1.653900     -0.1378000    
 C   -3.250200       2.088600     -0.5097000    
 C  -0.1371000       2.079200      0.1802000    
 C    2.141900       3.007400      0.5883000    
 C    3.778400      0.8783000     -7.2200000E-02
 C    3.619600      0.2048000       1.135900    
 C    3.927500      0.1670000      -1.260100    
 C    3.609700      -1.189900       1.156600    
 C    3.917600      -1.227700      -1.239300    
 C    3.758700      -1.906200     -3.1099999E-02
 H   -3.741600      -2.089100       1.646300    
 H   -4.405400      -2.577200      6.1799999E-02
 H   -2.743400      -4.075800      -1.131000    
 H   -2.735400      -2.541500      -2.027300    
 H   -1.212700      -3.301800      -1.600800    
 H   -1.946200      -4.083800       1.364200    
 H  -0.4236000      -3.348900      0.8104000    
 H   -1.355800      -2.561400       2.070000    
 H   -5.744200     -9.9999998E-03  0.5200000    
 H   -5.356900       2.361800     -0.1245000    
 H   -3.100200       3.130300     -0.7819000    
 H    1.286100       2.439800      -1.271000    
 H    2.003000       4.091600      0.6368000    
 H    2.036300       2.607900       1.601200    
 H    3.511400      0.7412000       2.075000    
 H    4.051600      0.6793000      -2.210800    
 H    3.486600      -1.703600       2.106600    
 H    4.034500      -1.770800      -2.173600    


%chk=000039698-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039698

0 1
Br 3.861706 -4.094732 1.327440
S 3.500122 2.050300 -1.102077
O -1.413791 -0.668769 -0.234936
O -1.384617 2.268140 -0.617164
O -0.061206 1.785002 1.296748
N 0.805147 2.833358 -0.625933
C -1.930430 -2.121680 -0.171854
C -3.323334 -2.013247 0.539919
C -3.664026 -0.533208 0.449782
C -2.504854 0.157971 0.026711
C -2.055926 -2.584695 -1.632999
C -0.885821 -2.913192 0.618484
C -4.848719 0.168608 0.728128
C -2.512603 1.559265 -0.107764
C -4.862401 1.580548 0.582013
C -3.698008 2.269946 0.170621
C -0.181104 2.238279 0.136555
C 2.158942 3.014276 -0.149184
C 3.499744 0.361398 -0.370366
C 2.576577 -0.103596 0.593800
C 4.526610 -0.499091 -0.837390
C 2.690583 -1.420235 1.098835
C 4.638057 -1.816079 -0.342346
C 3.715375 -2.261831 0.626741
H -3.249663 -2.336424 1.596146
H -4.071375 -2.656442 0.043334
H -2.369009 -3.644348 -1.675357
H -2.803990 -1.977408 -2.173107
H -1.086548 -2.484546 -2.150109
H -1.199473 -3.969266 0.710807
H 0.093584 -2.884331 0.111230
H -0.767472 -2.492765 1.632193
H -5.749670 -0.362398 1.054106
H -5.776862 2.144953 0.789765
H -3.695487 3.358264 0.054232
H 0.561638 3.100151 -1.581167
H 2.490621 4.055860 -0.291537
H 2.206966 2.753055 0.918393
H 1.756239 0.517741 0.967011
H 5.247926 -0.146878 -1.583077
H 1.977364 -1.770515 1.850112
H 5.433294 -2.473239 -0.705339


