%chk=000178452.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000178452

0 1
 Br   1.486500      -2.954700      0.1250000    
 S    5.185300       1.188600     -9.4800003E-02
 O  -0.2630000     -0.3321000       1.753600    
 N    2.495300      0.9296000      0.2331000    
 N    3.574300     -0.9945000     -2.1900000E-02
 N   -2.671300       1.145600     -0.2403000    
 N   -4.414900      -1.038900     -7.6000001E-03
 C  -0.7919000     -0.3409000     -0.6213000    
 C   0.1082000      0.2409000      0.4976000    
 C    1.581400     -5.4099999E-02  0.2900000    
 C   -2.272700     -0.1217000     -0.3537000    
 C  -0.4011000      0.2331000      -1.992500    
 C    2.230500      -1.224500      0.1355000    
 C    3.700000      0.3124000      4.1299999E-02
 C    2.248400       2.350300      0.3516000    
 C   -3.097900      -1.199300     -0.2450000    
 C   -3.988300       1.306000     -3.1999999E-03
 C   -4.844700      0.2331000      0.1112000    
 C   -6.294200      0.4476000      0.3744000    
 C    6.430100     -0.1264000     -0.3330000    
 H  -0.6517000      -1.422800     -0.6837000    
 H  -7.7900000E-02   1.315000      0.5902000    
 H   0.6173000     -5.0000001E-02  -2.276000    
 H  -0.4640000       1.327100      -2.000900    
 H   -1.071500     -0.1410000      -2.774900    
 H  -0.2415000      -1.300400       1.663500    
 H    1.568400       2.648100     -0.4514000    
 H    1.796800       2.539200       1.329400    
 H    3.165700       2.932600      0.2694000    
 H   -2.762400      -2.224400     -0.3380000    
 H   -4.326000       2.331300      9.1300003E-02
 H   -6.744800       1.035900     -0.4311000    
 H   -6.828200     -0.5064000      0.4353000    
 H   -6.435200      0.9744000       1.323500    
 H    6.436000     -0.8005000      0.5277000    
 H    7.418300      0.3302000     -0.4311000    
 H    6.210700     -0.6933000      -1.241600    


%chk=000178452-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000178452

0 1
Br 1.829923 -3.149895 0.147400
S 5.201444 1.430192 -0.233635
O -0.332444 -0.667719 1.746136
N 2.459898 0.917070 0.163853
N 3.717914 -0.957863 -0.091027
N -2.585128 1.090693 -0.235589
N -4.560230 -0.942496 -0.019866
C -0.800067 -0.543454 -0.710968
C 0.081484 -0.030673 0.475462
C 1.559683 -0.177528 0.236780
C -2.255742 -0.231230 -0.403835
C -0.377620 0.108164 -2.051884
C 2.387371 -1.294217 0.082340
C 3.733259 0.391445 -0.041889
C 2.108471 2.337932 0.297900
C -3.253078 -1.228610 -0.292654
C -3.884606 1.379042 0.039664
C -4.889709 0.377025 0.151496
C -6.330133 0.713637 0.459904
C 6.493207 0.058900 -0.226151
H -0.679399 -1.641332 -0.788311
H -0.178764 1.031065 0.625321
H 0.679228 -0.112645 -2.282440
H -0.520493 1.202964 -2.006863
H -0.996336 -0.277629 -2.881374
H -0.035953 -1.615774 1.731130
H 1.535473 2.691665 -0.576543
H 1.513547 2.500991 1.211926
H 3.034533 2.929306 0.378097
H -3.004480 -2.288420 -0.419539
H -4.133226 2.437663 0.177283
H -6.767030 1.369147 -0.316285
H -6.919620 -0.214863 0.509619
H -6.421519 1.243501 1.426127
H 6.450723 -0.477337 0.731647
H 7.459855 0.568599 -0.356810
H 6.289563 -0.632217 -1.054823


