%chk=000039852.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039852

0 1
 Br   4.308800       2.379500     -0.8284000    
 S   8.7800004E-02  -2.369100      0.1322000    
 O   0.6321000      -3.208400       1.183300    
 O  -0.2298000      -2.947300      -1.159500    
 O  -0.5207000       2.401500       1.847000    
 O   -1.087000      0.3985000       2.760100    
 N   -1.274000      -1.515600      0.7484000    
 C    1.249900      -1.060700     -0.1326000    
 C   -1.785300     -0.4067000      2.9000000E-03
 C   -1.703000      0.8933000      0.5018000    
 C    2.110400     -0.7072000      0.8907000    
 C    1.274000     -0.4185000      -1.357500    
 C   -2.372000     -0.6406000      -1.240800    
 C   -2.207300       1.959400     -0.2430000    
 C   -2.876300      0.4256000      -1.985700    
 C    3.026400      0.3241000      0.6822000    
 C    2.190000      0.6125000      -1.566000    
 C   -2.793900       1.725500      -1.486700    
 C    3.066200      0.9838000     -0.5461000    
 C   -1.096400       1.170200       1.797500    
 H   -1.322900      -1.420600       1.770700    
 H    2.088700      -1.201900       1.856700    
 H   0.6032000     -0.6934000      -2.165100    
 H   -2.463800      -1.646800      -1.639600    
 H   -2.170900       2.982200      0.1230000    
 H   -3.337400      0.2431000      -2.951900    
 H    3.700600      0.6027000       1.488000    
 H    2.208300       1.116300      -2.529000    
 H   -3.190100       2.554900      -2.065300    
 H  -0.1127000       2.578900       2.721300    


%chk=000039852-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039852

0 1
Br 5.586560 1.128601 -1.960586
S 0.255265 -2.030799 0.330574
O 0.672186 -2.765508 1.714052
O -0.412048 -2.825331 -0.920504
O -3.147122 2.275173 2.845841
O -1.670044 0.514764 3.081550
N -0.830433 -0.697520 0.922687
C 1.768653 -1.110998 -0.335500
C -1.668401 0.120467 0.166000
C -2.440888 1.135073 0.848813
C 2.709242 -0.644363 0.597238
C 1.911864 -0.971578 -1.724024
C -1.790458 0.012922 -1.250781
C -3.278282 2.007038 0.098170
C -2.625488 0.891212 -1.960579
C 3.851708 0.026924 0.107975
C 3.057089 -0.299531 -2.209261
C -3.371700 1.899627 -1.296739
C 4.004615 0.195472 -1.286996
C -2.364938 1.251767 2.309978
H -0.883131 -0.619393 1.963046
H 2.570594 -0.813720 1.669719
H 1.171759 -1.396563 -2.409086
H -1.270887 -0.791900 -1.776849
H -3.849007 2.763674 0.643747
H -2.706190 0.781025 -3.047851
H 4.607734 0.404969 0.801161
H 3.206476 -0.171931 -3.284611
H -4.019083 2.575099 -1.863480
H -3.042741 2.270527 3.834894


