%chk=000227298.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000227298

0 1
 Br  -4.428000      -1.789500      0.9500000    
 S    1.206800       2.206700      4.1800000E-02
 O    2.183600       2.948400     -0.7468000    
 O   0.9046000       2.661200       1.393600    
 N  -0.2506000       2.103900     -0.8712000    
 N   -1.473700      0.1258000      -1.265900    
 N   -1.850600       1.429300      0.7255000    
 N    3.006500      -3.454700      0.2964000    
 C    1.735200      0.5442000      0.1161000    
 C    2.574400      3.3900000E-02 -0.8742000    
 C    1.318000     -0.2735000       1.166300    
 C   -1.251400       1.163200     -0.4449000    
 C    2.579400      -2.112000      0.2356000    
 C    2.996500      -1.294300     -0.8145000    
 C    1.740100      -1.601600       1.226100    
 C   -2.418600     -0.7361000     -0.8359000    
 C   -3.113100     -0.5849000      0.3469000    
 C   -2.783900      0.5275000       1.094400    
 C   -2.675300      -1.897600      -1.739400    
 H  -0.1251000       2.118700      -1.891700    
 H    2.905800      0.6500000      -1.705300    
 H   0.6640000      0.1017000       1.948300    
 H    3.649100      -1.680900      -1.593200    
 H    1.407600      -2.229000       2.049100    
 H   -3.267000      0.7430000       2.042400    
 H   -2.034200      -1.849300      -2.626700    
 H   -2.455900      -2.841800      -1.230900    
 H   -3.713100      -1.898600      -2.087300    
 H    3.614100      -3.825600     -0.4219000    
 H    2.703300      -4.048400       1.056900    


%chk=000227298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000227298

0 1
Br -5.227717 -1.772920 0.687835
S 1.107482 1.667127 -0.380754
O 1.923146 2.479067 -1.530209
O 0.482218 2.424304 0.905915
N -0.269540 0.949222 -1.431050
N -2.501364 0.344450 -1.749590
N -1.336287 -0.206731 0.334691
N 4.530745 -2.967069 1.431416
C 2.118390 0.209296 0.164844
C 3.203951 -0.171474 -0.645514
C 1.805279 -0.424341 1.381126
C -1.407808 0.350572 -0.918701
C 3.730168 -1.914070 1.009983
C 4.010841 -1.238424 -0.218210
C 2.618846 -1.488051 1.802423
C -3.633567 -0.287512 -1.316576
C -3.640048 -0.877778 -0.020775
C -2.474531 -0.808730 0.771366
C -4.818281 -0.304064 -2.246042
H -0.348295 1.448277 -2.326212
H 3.419064 0.370628 -1.571770
H 0.944558 -0.091718 1.967454
H 4.865440 -1.551161 -0.828766
H 2.397876 -1.997295 2.747256
H -2.447512 -1.247360 1.773873
H -4.555833 0.215693 -3.179166
H -5.126983 -1.340311 -2.476345
H -5.691249 0.192058 -1.783496
H 5.326006 -3.273581 0.878080
H 4.343505 -3.448407 2.306514


