%chk=000086450.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000086450

0 1
 Br  -5.143400       1.135900      0.5720000    
 S   0.6745000      -1.211800     -0.8171000    
 O   0.6615000      -2.641900     -0.5614000    
 O    1.118800     -0.6782000      -2.094200    
 O    2.974400       1.387600     -0.2453000    
 O    1.073100       1.706000       1.027700    
 C    1.802800     -0.4562000      0.4446000    
 C    1.834000      -1.295300       1.668800    
 C    2.966500      -1.346000      0.6855000    
 C    1.880300      0.9824000      0.4602000    
 C  -0.9063000     -0.5739000     -0.4396000    
 C   -1.337200      0.6152000      -1.027700    
 C   -1.738500      -1.253500      0.4499000    
 C   -2.600100       1.125000     -0.7261000    
 C   -3.001400     -0.7439000      0.7513000    
 C    3.173400       2.803300     -0.3118000    
 C   -3.432200      0.4455000      0.1634000    
 H    1.209900      -2.172300       1.776300    
 H    2.025000     -0.8060000       2.618800    
 H    3.907100     -0.9036000      0.9967000    
 H    3.101900      -2.249800      0.1049000    
 H  -0.7033000       1.163700      -1.718700    
 H   -1.421900      -2.178100      0.9243000    
 H   -2.920000       2.053600      -1.191700    
 H   -3.637200      -1.284900       1.447500    
 H    2.322900       3.282000     -0.8067000    
 H    4.074500       2.992600     -0.9011000    
 H    3.317600       3.213000      0.6924000    


%chk=000086450-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000086450

0 1
Br -5.413007 1.022090 0.832840
S 0.523859 -1.297209 -0.920685
O 0.534364 -2.850705 -0.385159
O 0.787233 -0.951775 -2.487862
O 3.257068 1.469028 0.440423
O 1.262452 1.723479 -0.739313
C 1.905899 -0.460716 0.151823
C 2.082920 -1.057806 1.559188
C 3.077274 -1.401755 0.457506
C 2.071702 0.995464 -0.119895
C -1.143990 -0.575401 -0.382864
C -1.596481 0.614826 -0.974510
C -1.900356 -1.332353 0.526135
C -2.876377 1.089466 -0.608014
C -3.177769 -0.850943 0.893380
C 3.512508 2.921898 0.257772
C -3.642202 0.354866 0.324250
H 1.379003 -1.847643 1.839824
H 2.366960 -0.352409 2.344183
H 4.066342 -0.939544 0.458970
H 3.000624 -2.409980 0.037987
H -0.972483 1.154519 -1.691203
H -1.514007 -2.282086 0.910145
H -3.264980 2.013813 -1.043358
H -3.797643 -1.410423 1.598918
H 3.587932 3.156853 -0.816518
H 4.465017 3.103879 0.773802
H 2.694838 3.510966 0.705134


