%chk=000296951.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296951

0 1
Br -6.077898 -1.917452 -1.062148
S -0.927090 1.529218 0.566715
O 0.265289 0.444357 0.084855
O -0.786665 2.689447 -0.276519
O -0.812928 1.656583 1.997319
C 3.196309 -1.110960 0.924537
C 4.426146 -1.762030 0.265991
C 4.585824 -0.466915 1.083873
C 3.739579 0.054523 -1.023878
C 2.462718 -0.339013 -0.193269
C 4.407417 -1.347892 -1.216253
C 4.662611 0.686612 0.069431
C 1.641319 0.847880 0.298776
C -2.315820 0.605625 0.130338
C -2.880455 -0.279249 1.054986
C -2.869857 0.745312 -1.146544
C -4.004309 -1.034589 0.705067
C -3.993630 -0.004533 -1.508049
C -4.544267 -0.886990 -0.575095
H 2.632451 -1.548340 1.730414
H 4.832643 -2.716006 0.553878
H 5.117189 -0.400359 2.017486
H 3.571396 0.643390 -1.923329
H 1.793336 -1.015911 -0.772408
H 3.813423 -2.026528 -1.841595
H 5.413266 -1.285682 -1.651413
H 5.684825 0.866189 -0.289531
H 4.280765 1.634251 0.468496
H 1.824945 1.764373 -0.293063
H 1.784205 1.050089 1.377032
H -2.450283 -0.380164 2.059325
H -2.431186 1.447249 -1.866888
H -4.446197 -1.725310 1.425668
H -4.427369 0.103725 -2.503908


%chk=000296951-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296951

0 1
Br -6.019592 -2.326062 -0.214387
S -0.905203 1.803799 0.193805
O 0.379297 0.602495 -0.423033
O -1.088601 3.000554 -0.882889
O -0.594106 2.139532 1.750205
C 2.733188 -1.212495 0.310561
C 4.086233 -1.920728 0.069170
C 3.940610 -0.911754 1.235126
C 4.193222 0.252814 -0.762587
C 2.654591 -0.068513 -0.713809
C 4.775912 -1.162697 -1.080714
C 4.569185 0.404978 0.747621
C 1.772389 1.115282 -0.301618
C -2.351050 0.619001 0.072205
C -2.642480 -0.182868 1.186684
C -3.090058 0.599821 -1.120747
C -3.744315 -1.062788 1.099285
C -4.190621 -0.282516 -1.203601
C -4.497303 -1.102895 -0.095420
H 1.844723 -1.740520 0.657488
H 4.221502 -2.990220 0.237459
H 3.958894 -1.224409 2.280177
H 4.498331 1.069626 -1.432952
H 2.309135 -0.429995 -1.701644
H 4.475910 -1.530527 -2.078926
H 5.878828 -1.184883 -1.009319
H 5.664919 0.428895 0.891491
H 4.138224 1.302788 1.224802
H 1.908321 1.975282 -0.985656
H 1.958112 1.422724 0.743932
H -2.042738 -0.112320 2.099333
H -2.827859 1.261004 -1.952396
H -4.006871 -1.703372 1.945195
H -4.793027 -0.328131 -2.114545


