%chk=000094388.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094388

0 1
 Br  -1.952500       2.796900      0.3472000    
 S   0.8815000       1.316700      -1.282600    
 O    3.192100       1.131200       2.422200    
 O    1.691400       2.032100       1.090300    
 N  -0.5349000     -0.5899000     -6.1000001E-02
 N    2.546000       1.154600       1.349900    
 C   -1.936100       1.216700     -0.7819000    
 C   -2.750300      0.1396000     -0.1323000    
 C  -0.5572000      0.5680000     -0.6585000    
 C   -1.871800     -0.8748000      0.2713000    
 C   -2.365600       1.546000      -2.198200    
 C   -4.113900      3.7300002E-02  8.2800001E-02
 C   -2.340600      -2.011500      0.9081000    
 C   -4.593900      -1.105800      0.7251000    
 C   -3.714400      -2.121600       1.135500    
 C    2.111300      0.1035000     -0.8374000    
 C    2.794500      0.1392000      0.3826000    
 C    2.392500     -0.9140000      -1.754200    
 C    3.749300     -0.8326000      0.6821000    
 C    3.347100      -1.886000      -1.454500    
 C    4.025600      -1.845300     -0.2365000    
 H   -1.733800       2.322000      -2.644700    
 H   -2.302500      0.6642000      -2.846900    
 H   -3.399600       1.908200      -2.234700    
 H   -4.796100      0.8188000     -0.2330000    
 H   -1.665000      -2.800100       1.221300    
 H   -5.659500      -1.212900      0.9097000    
 H   -4.109300      -3.003500       1.632900    
 H    1.876400     -0.9668000      -2.710200    
 H    4.301600     -0.8400000       1.618300    
 H    3.562200      -2.674700      -2.169500    
 H    4.768700      -2.602400     -4.0000002E-03


%chk=000094388-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094388

0 1
Br -2.116038 3.065239 -0.256344
S 0.867579 1.314270 -1.438596
O 2.033021 -0.337724 2.664271
O 1.475560 1.542740 1.507646
N -0.552601 -0.409987 0.209942
N 1.976787 0.361686 1.581677
C -1.993116 1.124880 -0.971422
C -2.825482 0.206467 -0.095163
C -0.579740 0.594091 -0.638970
C -1.926308 -0.676288 0.569777
C -2.353224 1.150475 -2.462266
C -4.208925 0.107092 0.102965
C -2.387462 -1.668077 1.448458
C -4.687605 -0.895678 0.988173
C -3.788562 -1.766386 1.651507
C 2.203504 0.135746 -0.960017
C 2.587756 -0.227085 0.356832
C 2.910121 -0.434427 -2.044985
C 3.631426 -1.153876 0.578343
C 3.977846 -1.333322 -1.828968
C 4.333022 -1.702343 -0.512244
H -1.685509 1.824550 -3.024196
H -2.258665 0.129130 -2.876930
H -3.393666 1.489170 -2.599574
H -4.906430 0.793190 -0.390270
H -1.683391 -2.334985 1.954348
H -5.764000 -0.991476 1.165948
H -4.181572 -2.526718 2.335338
H 2.605380 -0.179400 -3.064713
H 3.873520 -1.422734 1.610067
H 4.512273 -1.753895 -2.686801
H 5.147700 -2.411224 -0.334633


