%chk=000003177.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003177

0 1
 Br  -4.149800      -4.434700     -3.0000000E-03
 S    4.644100     -0.1141000      5.0000002E-04
 S   -3.711500      -1.282600     -3.0000001E-04
 F   -1.749800       4.964500      9.9999997E-05
 O    5.218200     -0.5662000       1.259800    
 O    5.236900     -0.5425000      -1.259100    
 C   -1.151300      -1.552800     -3.9999999E-04
 C   0.2420000      -1.207100     -1.9999999E-04
 C   -2.143900     -0.5933000       0.000000    
 C    2.949500     -0.5346000      1.9999999E-04
 C   0.9188000      -1.038500      -1.208100    
 C   0.9188000      -1.039600       1.207800    
 C    2.272500     -0.7023000      -1.207900    
 C    2.272600     -0.7033000       1.208200    
 C   -2.041400      0.8504000      6.9999998E-04
 C   -1.694400      -2.873500     -1.3000000E-03
 C   -3.071800      -2.871000     -1.3000000E-03
 C    4.657700       1.664500      8.9999998E-04
 C   -1.992400       1.541100      -1.207200    
 C   -1.992600       1.541500       1.208700    
 C   -1.893700       2.932500      -1.207500    
 C   -1.893900       2.932900       1.208600    
 C   -1.844600       3.628500      5.0000002E-04
 H   0.4057000      -1.163700      -2.158700    
 H   0.4056000      -1.165500       2.158400    
 H    2.778600     -0.5694000      -2.159800    
 H    2.777600     -0.5706000       2.160800    
 H   -1.098200      -3.778500     -1.9000000E-03
 H    4.149200       2.023100      0.8978000    
 H    5.698500       1.995500      5.7000001E-03
 H    4.156700       2.024000     -0.8998000    
 H   -2.028300       1.013600      -2.157400    
 H   -2.028600       1.014100       2.158900    
 H   -1.854600       3.474300      -2.147800    
 H   -1.855000       3.475000       2.148800    


%chk=000003177-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003177

0 1
Br -4.116261 -4.619809 -0.003582
S 4.818471 -0.202014 0.001291
S -3.879853 -1.396645 -0.003065
F -1.935894 5.103982 0.004172
O 5.413070 -0.711605 1.438740
O 5.415204 -0.714448 -1.434299
C -1.224599 -1.528629 -0.001492
C 0.231170 -1.180781 -0.000842
C -2.247114 -0.583943 -0.000972
C 2.953165 -0.566169 0.000421
C 0.933071 -1.036620 -1.226759
C 0.931163 -1.033190 1.225750
C 2.311994 -0.728535 -1.236918
C 2.310088 -0.725137 1.237207
C -2.172586 0.898416 0.000372
C -1.694769 -2.901037 -0.002507
C -3.071647 -3.005007 -0.002649
C 4.933953 1.712126 -0.000562
C -2.136372 1.620351 -1.223258
C -2.140314 1.618370 1.225287
C -2.055977 3.029347 -1.232369
C -2.059997 3.027349 1.236943
C -2.017536 3.698574 0.002896
H 0.398855 -1.173722 -2.172771
H 0.395484 -1.167682 2.171308
H 2.879970 -0.648194 -2.169964
H 2.876578 -0.642312 2.170934
H -1.023262 -3.761523 -0.002756
H 4.439245 2.064472 0.914693
H 6.011740 1.926586 0.000053
H 4.440571 2.062682 -0.917209
H -2.172341 1.073468 -2.170981
H -2.179341 1.069956 2.172005
H -2.025842 3.598263 -2.165849
H -2.032885 3.594761 2.171432


