%chk=000127725.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127725

0 1
 Br  -3.831500       2.507800      -1.388300    
 Cl  -1.536400      -3.952400     -0.5917000    
 S  -0.8858000       1.227000      0.8084000    
 O   -1.277800       2.362200     -1.3400000E-02
 O   -1.077200       1.245100       2.250500    
 O    1.376400     -0.3062000       2.446300    
 O   0.8979000       1.526700      -1.815500    
 N   0.7069000      0.7946000      0.4429000    
 C   -1.964400     -0.1023000      0.2651000    
 C    2.827500     -0.1341000      0.5626000    
 C    2.685700      0.4103000     -0.7015000    
 C    1.593600      7.1199998E-02   1.309800    
 C    1.354200      0.9892000     -0.8236000    
 C   -3.297300      0.1491000      6.1299998E-02
 C   -1.392000      -1.336400      7.6700002E-02
 C    3.992700     -0.7589000      0.9608000    
 C    3.701800      0.3593000      -1.635200    
 C   -4.113100     -0.9014000     -0.3588000    
 C   -3.912200       1.494700      0.2694000    
 C   -2.207800      -2.387000     -0.3435000    
 C    5.035700     -0.8216000      3.2699998E-02
 C    4.891400     -0.2673000      -1.254100    
 C   -3.568400      -2.169500     -0.5611000    
 H  -0.3402000      -1.527800      0.2499000    
 H    4.103600      -1.186700       1.950500    
 H    3.590900      0.7846000      -2.625900    
 H   -5.174800     -0.7481000     -0.5339000    
 H   -3.477500       2.082900       1.080100    
 H   -4.979200       1.402600      0.5023000    
 H    5.970600      -1.304400      0.3050000    
 H    5.717000     -0.3295000      -1.958200    
 H   -4.216000      -2.978700     -0.8886000    


%chk=000127725-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127725

0 1
Br -0.979923 2.435341 -1.151080
Cl -3.950075 -4.039610 -0.981441
S -0.839997 -0.606066 2.055764
O -1.211091 0.658388 2.990270
O -0.597020 -2.056244 2.720106
O 1.477795 1.897983 2.101646
O 0.632600 -2.105387 -0.319076
N 0.723005 -0.154825 1.067269
C -2.117318 -0.789236 0.645204
C 2.726934 0.741532 0.301019
C 2.484856 -0.449814 -0.422369
C 1.616855 0.968111 1.285907
C 1.205690 -1.057126 0.053976
C -2.687593 0.339538 0.009789
C -2.460198 -2.122326 0.376350
C 3.862994 1.528675 0.056853
C 3.368679 -0.899933 -1.415538
C -3.690290 0.050330 -0.958402
C -2.304961 1.766891 0.274661
C -3.457771 -2.341396 -0.591023
C 4.764758 1.081753 -0.943016
C 4.521738 -0.113712 -1.667830
C -4.080474 -1.268177 -1.261836
H -1.961803 -2.941975 0.902165
H 4.037983 2.449492 0.621567
H 3.168703 -1.822789 -1.968474
H -4.156997 0.886217 -1.491149
H -1.792401 1.934231 1.231101
H -3.157130 2.450759 0.161310
H 5.664312 1.667316 -1.160449
H 5.237542 -0.431885 -2.433085
H -4.855106 -1.461059 -2.009193


