%chk=000037059.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037059

0 1
 Br  -4.404300       1.763800      0.4525000    
 S   -1.306100      0.5915000      0.9175000    
 S  -0.8544000      -1.373100      -1.299100    
 C   -2.701700     -0.5074000      0.5240000    
 C  -0.2874000      0.1875000     -0.5413000    
 C   -2.103800      -1.786300     -4.9500000E-02
 C    1.190900      0.1714000     -0.2243000    
 C   -3.685700      0.1859000     -0.4156000    
 C    2.051700       1.074300     -0.8517000    
 C    1.699900     -0.7466000      0.6966000    
 C    3.415600       1.059100     -0.5594000    
 C    3.063700     -0.7616000      0.9892000    
 C    3.921600      0.1414000      0.3612000    
 H   -3.213700     -0.7485000       1.463300    
 H  -0.4910000      0.9706000      -1.279700    
 H   -1.616700      -2.373300      0.7378000    
 H   -2.873900      -2.422100     -0.4979000    
 H   -4.540600     -0.4591000     -0.6389000    
 H   -3.241100      0.5194000      -1.357600    
 H    1.673400       1.795700      -1.571100    
 H    1.052500      -1.460400       1.199400    
 H    4.083700       1.762100      -1.048400    
 H    3.457800      -1.476200       1.705800    
 H    4.983400      0.1298000      0.5889000    


%chk=000037059-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000037059

0 1
Br -4.532136 1.883864 0.243295
S -1.260174 0.509223 1.070432
S -0.895699 -1.541112 -1.234608
C -2.787434 -0.485140 0.555733
C -0.259058 0.128528 -0.506776
C -2.256586 -1.841310 0.048578
C 1.223911 0.131362 -0.211324
C -3.664466 0.212276 -0.489758
C 2.047797 1.119840 -0.805215
C 1.809160 -0.826543 0.656267
C 3.435665 1.154533 -0.536021
C 3.192671 -0.793711 0.923909
C 4.011256 0.197838 0.329203
H -3.356450 -0.632124 1.491922
H -0.506820 0.894358 -1.257838
H -1.840103 -2.422872 0.885279
H -3.040678 -2.427985 -0.462057
H -4.511782 -0.428191 -0.787125
H -3.097544 0.528156 -1.377386
H 1.602820 1.865210 -1.476024
H 1.174209 -1.595896 1.108719
H 4.061913 1.924399 -1.000085
H 3.636789 -1.538240 1.594056
H 5.086539 0.221438 0.538521


