%chk=000016281.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016281

0 1
 Br  -2.726700       4.350000     -7.2999999E-02
 Br  -4.382300      -3.374100     -0.3815000    
 S    3.573900      -1.077000      0.7208000    
 O    3.701100      0.9217000      -1.007100    
 N   -2.223200      0.1947000     -3.1700000E-02
 C   -2.734000       1.511000      0.2956000    
 C   -3.131600     -0.8050000     -0.5568000    
 C  -0.8563000     -0.1053000      0.1461000    
 C   -2.045700       2.581200     -0.5295000    
 C   -3.170500      -2.027800      0.3393000    
 C  -0.1268000      0.5329000       1.149000    
 C  -0.2344000      -1.040200     -0.6815000    
 C    1.225000      0.2364000       1.324300    
 C    1.117300      -1.336800     -0.5061000    
 C    1.846900     -0.6984000      0.4968000    
 C    4.333600      0.1089000     -0.3432000    
 C    5.833600      2.7799999E-02 -0.3615000    
 H   -3.813700       1.563800      0.1041000    
 H   -2.638800       1.709300       1.370200    
 H   -4.148400     -0.3984000     -0.6343000    
 H   -2.865500      -1.069800      -1.587500    
 H  -0.5752000       1.252700       1.826500    
 H  -0.7590000      -1.546100      -1.485900    
 H  -0.9670000       2.640000     -0.3683000    
 H   -2.231300       2.446400      -1.599500    
 H   -2.208700      -2.534800      0.4411000    
 H   -3.542400      -1.782500       1.338800    
 H    1.777000      0.7412000       2.113400    
 H    1.586500      -2.064900      -1.163300    
 H    6.235200      0.2127000      0.6386000    
 H    6.228200      0.7921000      -1.037800    
 H    6.155500     -0.9523000     -0.7241000    


%chk=000016281-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016281

0 1
Br -3.323596 4.262613 0.327664
Br -4.784927 -3.161411 -0.734397
S 3.775465 -1.184304 0.605608
O 4.070632 1.230479 -0.729589
N -2.155394 0.150560 -0.020251
C -2.731449 1.391315 0.527983
C -3.072752 -0.769832 -0.714475
C -0.779352 -0.145821 0.116089
C -2.555470 2.557182 -0.465567
C -3.570240 -1.864341 0.250651
C 0.118216 0.777512 0.736120
C -0.235973 -1.378362 -0.361206
C 1.485271 0.477766 0.879600
C 1.137292 -1.661654 -0.232960
C 2.006492 -0.741371 0.393497
C 4.657144 0.238795 -0.258031
C 6.158127 0.014172 -0.294243
H -3.807664 1.236675 0.720844
H -2.271365 1.644086 1.499276
H -3.937533 -0.200283 -1.097707
H -2.583829 -1.226705 -1.592717
H -0.236175 1.742534 1.109049
H -0.872831 -2.128600 -0.838615
H -1.499426 2.780213 -0.676051
H -3.108684 2.396038 -1.403171
H -2.750375 -2.476673 0.653298
H -4.182004 -1.455306 1.068923
H 2.146308 1.206531 1.357338
H 1.529577 -2.607711 -0.620487
H 6.477221 -0.792821 0.384275
H 6.677005 0.952484 -0.032844
H 6.452590 -0.254362 -1.325906


