%chk=000064076.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064076

0 1
 Br   6.486600       1.803600       2.212400    
 S   -3.609600      -2.156100       2.054200    
 S  -0.8902000     -0.9882000       1.340800    
 O   -5.429400      -1.469300     -0.3572000    
 O    1.555600     -0.4399000       1.945400    
 N   -4.193200       1.981400     -1.1000000E-02
 N    1.240100      -1.311000     -0.2214000    
 N    2.983900      -1.137900      -1.816100    
 N  -0.6318000      -2.886900     -0.3600000    
 N   -1.866000      -3.083600      0.2347000    
 C   -4.521200     -0.4549000      6.9600001E-02
 C   -5.088600      0.9015000     -0.3592000    
 C   -4.290400     -0.5443000       1.580800    
 C   -2.900800       2.093400     -0.4957000    
 C    3.300100     -0.1891000      0.4198000    
 C   -1.932300       2.886300      0.1517000    
 C    3.770600     -0.4796000     -0.8628000    
 C    1.782100      -1.505200      -1.490100    
 C    1.941300     -0.6369000      0.7959000    
 C  -2.5599999E-02  -1.831100      0.1271000    
 C   -2.521000       1.406300      -1.665100    
 C    4.106000      0.4906000       1.340600    
 C  -0.6352000       2.987400     -0.3512000    
 C   -2.123300      -2.163500       1.139600    
 C    5.064600     -7.8599997E-02  -1.215100    
 C   -2.284000       3.635600       1.395700    
 C   0.9524000      -2.119800      -2.598800    
 C   -1.223900       1.507400      -2.167800    
 C  -0.2811000       2.297900      -1.510900    
 C    5.392300      0.8848000      0.9751000    
 C    5.872100      0.5998000     -0.3012000    
 H   -3.587300     -0.6509000     -0.4609000    
 H   -5.325500      0.9122000      -1.430100    
 H   -6.051700       1.064500      0.1411000    
 H   -3.631900      0.2490000       1.945900    
 H   -5.247000     -0.4454000       2.105600    
 H   -4.461500       2.559600      0.7766000    
 H   -3.225200      0.7998000      -2.228000    
 H    3.736900      0.7118000       2.339000    
 H   -5.511700      -1.403900      -1.323900    
 H   0.1127000       3.597400      0.1484000    
 H    5.451000     -0.2901000      -2.209400    
 H   -1.423700       4.182500       1.797200    
 H   -3.069500       4.370900       1.192600    
 H   -2.620400       2.946700       2.177800    
 H   0.8778000      -3.199500      -2.442600    
 H    1.429000      -1.947500      -3.568900    
 H  -4.7600001E-02  -1.679500      -2.626000    
 H  -0.9482000      0.9740000      -3.072800    
 H   0.7294000       2.374700      -1.901500    
 H    6.872500      0.9000000     -0.6023000    


%chk=000064076-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000064076

0 1
Br 6.316037 2.056827 2.689769
S -4.008970 -2.805423 1.387659
S -1.357267 -1.010338 1.240637
O -6.245851 -0.856026 -0.252034
O 1.217220 -0.171379 2.072769
N -3.593626 1.758051 0.452573
N 1.164753 -1.139451 -0.082541
N 2.937391 -0.736259 -1.670496
N -0.377100 -2.993317 -0.265811
N -1.686264 -3.390907 0.041545
C -4.912588 -0.377020 0.146243
C -4.916160 1.183806 0.222349
C -4.638193 -1.014280 1.510211
C -2.592854 1.873478 -0.526808
C 3.164368 0.081356 0.653932
C -1.319672 2.430723 -0.161777
C 3.696248 -0.139361 -0.652413
C 1.730862 -1.201934 -1.407056
C 1.808959 -0.382912 0.976627
C -0.057386 -1.791653 0.220175
C -2.807443 1.448477 -1.869038
C 3.931903 0.739671 1.650425
C -0.313876 2.526048 -1.147826
C -2.343383 -2.496914 0.788175
C 5.017908 0.296158 -0.943042
C -1.064004 2.892444 1.261297
C 0.902445 -1.757295 -2.534799
C -1.782215 1.560634 -2.832646
C -0.523738 2.095127 -2.480279
C 5.230753 1.153935 1.331720
C 5.786902 0.936013 0.042045
H -4.139150 -0.691496 -0.583601
H -5.356915 1.571670 -0.719055
H -5.594928 1.496091 1.036890
H -3.907710 -0.436101 2.098452
H -5.582341 -1.098687 2.074558
H -3.399709 2.158074 1.368016
H -3.776080 1.036917 -2.171351
H 3.492126 0.897484 2.639136
H -6.344525 -0.815899 -1.235349
H 0.656756 2.952296 -0.864102
H 5.413165 0.123183 -1.947823
H -0.055551 3.327073 1.358192
H -1.785969 3.670704 1.585124
H -1.123437 2.053762 1.984635
H 0.742385 -2.842077 -2.429357
H 1.442275 -1.547605 -3.468963
H -0.094204 -1.280627 -2.565974
H -1.973448 1.231395 -3.860634
H 0.275550 2.182752 -3.223323
H 6.804750 1.269210 -0.179456


