%chk=000291996.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291996

0 1
Br 5.030023 0.321219 0.170354
S -2.619229 1.060445 -0.250472
O -3.868656 1.320128 0.421529
O -2.506471 1.030362 -1.692186
O 1.342791 -3.789391 0.104279
O 1.242313 -2.297605 -1.463113
N -1.537058 2.320143 0.275955
N -0.537033 2.758320 -0.633438
N 0.869216 -2.794424 -0.415781
C -1.897568 -0.373589 0.401061
C -0.836366 -0.983616 -0.268795
C -2.382780 -0.910172 1.600133
C -0.259633 -2.137262 0.283611
C 0.731585 2.098427 -0.426385
C -1.801407 -2.061942 2.142655
C -0.734904 -2.681063 1.490050
C 1.513299 1.760800 -1.549319
C 1.234783 1.898859 0.873540
C 2.795612 1.239891 -1.369952
C 2.515075 1.373847 1.047358
C 3.282865 1.047577 -0.074356
H -0.447519 -0.584279 -1.220113
H -1.939231 3.150956 0.752771
H -3.227237 -0.430678 2.115207
H -0.855371 2.702129 -1.625725
H -2.183020 -2.477176 3.077597
H -0.263560 -3.583380 1.901426
H 1.131574 1.908537 -2.559228
H 0.628012 2.166041 1.738995
H 3.402593 0.977608 -2.239715
H 2.910102 1.226087 2.054256


%chk=000291996-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291996

0 1
Br 5.372299 3.451112 -2.575669
S -1.442414 0.025666 2.873402
O -2.320930 1.342122 2.326691
O 0.261452 0.283774 2.408382
O -0.848362 -5.247279 -0.899408
O 0.640063 -4.464209 0.641868
N -0.824692 2.802506 0.491259
N 0.265445 2.132223 0.645362
N -0.474250 -4.396659 -0.004188
C -1.887719 -1.270594 1.541166
C -1.003335 -2.330894 1.289784
C -3.108598 -1.117754 0.857430
C -1.389307 -3.263322 0.302653
C 1.417441 2.482852 -0.132091
C -3.463248 -2.072845 -0.125354
C -2.606303 -3.156832 -0.407029
C 2.584911 1.711434 0.093178
C 1.413918 3.540892 -1.078808
C 3.761930 1.993668 -0.629726
C 2.585020 3.825161 -1.801883
C 3.746891 3.047963 -1.569028
H -0.042331 -2.429953 1.802885
H -1.552942 2.371349 1.164357
H -3.743185 -0.251808 1.077377
H 0.316718 1.063991 1.596801
H -4.406982 -1.969155 -0.669673
H -2.854189 -3.909757 -1.159692
H 2.566441 0.901220 0.830632
H 0.497058 4.118889 -1.228185
H 4.669241 1.406828 -0.465241
H 2.602756 4.636209 -2.535053


