%chk=000264048.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000264048

0 1
Br 6.968643 1.531260 -0.359500
S -0.697599 -2.551488 0.303399
O 0.717532 -0.535014 1.651460
O -6.135725 1.200816 -0.161047
O -4.759852 2.337836 -1.386354
N -1.713312 -0.318004 -0.757149
N -5.044848 1.391147 -0.671448
C 2.690728 -0.252915 0.364625
C 0.783917 -1.785766 -0.369166
C 1.333558 -0.814644 0.651274
C 3.147755 -0.036117 -0.942386
C 3.506129 0.083737 1.456986
C -1.979127 -1.393138 0.035493
C 4.420323 0.499046 -1.161608
C 4.782700 0.612200 1.247742
C -3.231795 -1.634658 0.631987
C 5.224415 0.811255 -0.062179
C -3.989613 0.403057 -0.410467
C -4.251372 -0.716760 0.403512
C -2.705201 0.575114 -0.974887
H 1.508907 -2.591229 -0.608859
H 0.571524 -1.264550 -1.331775
H 2.513708 -0.269880 -1.798670
H 3.131655 -0.063815 2.474981
H 4.773743 0.670704 -2.179882
H 5.415801 0.868455 2.099413
H -3.396972 -2.507909 1.264949
H -5.247506 -0.846703 0.844466
H -2.475913 1.444562 -1.613311


%chk=000264048-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000264048

0 1
Br 6.868397 1.830824 -0.403712
S -0.772818 -2.817357 0.062814
O 0.782726 -0.834490 1.739846
O -6.090718 1.349236 0.017566
O -4.493478 2.684513 -0.929206
N -1.645870 -0.309497 -0.627273
N -4.887250 1.571136 -0.402429
C 2.683847 -0.350885 0.341107
C 0.760840 -1.886958 -0.471148
C 1.368040 -1.010711 0.637927
C 3.345905 -0.468566 -0.910798
C 3.285183 0.429444 1.366566
C -2.009190 -1.495621 -0.065766
C 4.580683 0.174811 -1.136953
C 4.518071 1.075061 1.157032
C -3.323804 -1.761278 0.412939
C 5.153703 0.938513 -0.097762
C -3.904465 0.483286 -0.274371
C -4.289556 -0.751159 0.305377
C -2.580130 0.670132 -0.729562
H 1.468791 -2.657196 -0.820395
H 0.466369 -1.241430 -1.318425
H 2.908273 -1.053091 -1.726301
H 2.763398 0.516722 2.325034
H 5.086460 0.085591 -2.102227
H 4.976869 1.672385 1.949728
H -3.568015 -2.727449 0.863154
H -5.314804 -0.888204 0.658312
H -2.275256 1.618836 -1.179476


