%chk=000055012.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055012

0 1
 Br   4.609300     -0.6659000      0.1127000    
 S   -2.262900      3.9999999E-04  -1.520900    
 S   -2.270400      0.4227000       1.440200    
 C   -1.403000      0.7953000     -0.1206000    
 C   -3.399200      -1.009000     -0.5345000    
 C   -3.792600     -0.2044000      0.6873000    
 C   6.5499999E-02  0.4396000     -6.3400000E-02
 C    1.031500       1.435800     -0.2043000    
 C   0.4537000     -0.8861000      0.1301000    
 C    2.385900       1.106300     -0.1517000    
 C    1.808100      -1.215500      0.1830000    
 C    2.774200     -0.2194000      4.1999999E-02
 H   -1.509100       1.874200     -0.2774000    
 H   -2.901600      -1.944500     -0.2562000    
 H   -4.278400      -1.265900      -1.132900    
 H   -4.438400      0.6400000      0.4221000    
 H   -4.333700     -0.8254000       1.407400    
 H   0.7448000       2.473000     -0.3558000    
 H  -0.2788000      -1.680700      0.2432000    
 H    3.126100       1.894400     -0.2634000    
 H    2.093900      -2.253200      0.3345000    


%chk=000055012-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055012

0 1
Br 4.826783 -0.472052 0.140680
S -2.242888 -0.306115 -1.564685
S -2.218128 0.158120 1.503188
C -1.364533 0.639614 -0.127266
C -3.674191 -1.012182 -0.538245
C -3.895346 -0.113761 0.682673
C 0.117284 0.355266 -0.066040
C 1.041355 1.421794 -0.185037
C 0.610460 -0.962738 0.112157
C 2.435225 1.189170 -0.125327
C 1.995898 -1.213642 0.175692
C 2.893689 -0.129681 0.056098
H -1.554448 1.708742 -0.307100
H -3.419112 -2.040189 -0.237363
H -4.558430 -1.018800 -1.198693
H -4.320605 0.862134 0.396898
H -4.540700 -0.594909 1.437832
H 0.677612 2.446712 -0.323814
H -0.098350 -1.792972 0.194588
H 3.141614 2.018607 -0.218255
H 2.371713 -2.231416 0.313419


