%chk=000031583.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031583

0 1
 Br  -2.516300       3.478600     -7.8100003E-02
 S   -1.504800      -2.824800      0.1743000    
 N    3.810800      0.3210000      3.8699999E-02
 C    1.658500     -0.5866000     -0.7910000    
 C   0.3360000      -1.147300     -0.4171000    
 C    2.528300     -0.2531000      0.4313000    
 C  -0.8378000     -0.3533000     -0.1888000    
 C   -1.933200      -1.154800      0.1477000    
 C   0.1114000      -2.493600     -0.2538000    
 C   -1.028700       1.048200     -0.2536000    
 C    4.600900      0.6713000       1.219900    
 C    3.610400       1.499000     -0.8065000    
 C   -3.198400     -0.5972000      0.4177000    
 C   -2.282500       1.604300      1.3600000E-02
 C   -3.354500      0.7883000      0.3457000    
 H    2.193000      -1.302700      -1.430300    
 H    1.474900      0.2919000      -1.417900    
 H    2.700800      -1.174500       1.003000    
 H    1.980600      0.4307000       1.094700    
 H   0.8205000      -3.302400     -0.3646000    
 H  -0.1922000       1.694700     -0.5093000    
 H    5.589600       1.041700      0.9266000    
 H    4.771900     -0.2126000       1.844600    
 H    4.112400       1.437900       1.832500    
 H    3.287900       1.225700      -1.815900    
 H    4.559700       2.029100     -0.9526000    
 H    2.898400       2.211500     -0.3739000    
 H   -4.043300      -1.228500      0.6783000    
 H   -4.333300       1.213600      0.5552000    


%chk=000031583-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000031583

0 1
Br -2.419126 3.503938 -0.036992
S -1.629160 -2.994532 0.165289
N 3.754521 0.447227 0.039980
C 1.671201 -0.674971 -0.832655
C 0.322642 -1.254453 -0.460818
C 2.406499 -0.055850 0.388003
C -0.863963 -0.445081 -0.188162
C -2.010951 -1.223553 0.166807
C 0.069493 -2.602981 -0.317985
C -0.990436 0.970907 -0.249995
C 4.602507 0.634402 1.236445
C 3.725669 1.660886 -0.801690
C -3.254813 -0.631302 0.462331
C -2.233997 1.547155 0.044864
C -3.368291 0.773863 0.402630
H 2.327179 -1.455290 -1.257055
H 1.533701 0.091199 -1.620291
H 2.524783 -0.846612 1.152030
H 1.768921 0.743283 0.848526
H 0.762870 -3.430864 -0.463233
H -0.133959 1.593131 -0.524997
H 5.624038 0.918422 0.925736
H 4.669245 -0.314165 1.798326
H 4.223281 1.424421 1.933753
H 3.203655 1.461773 -1.753055
H 4.759378 1.962210 -1.047134
H 3.221694 2.528662 -0.301924
H -4.124997 -1.236847 0.733570
H -4.320586 1.261123 0.628098


