%chk=000224945.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000224945

0 1
Br 4.392055 -0.892433 -0.784454
S -2.025286 1.734005 0.964158
O -2.954536 1.840705 2.073439
O -1.509185 2.926596 0.349123
O 3.837095 -2.385831 1.985901
N -0.693371 0.930557 1.807546
N 1.472292 -0.020174 2.028976
N 0.562693 0.571988 -0.170941
N -4.034636 -2.124564 -2.995033
C -2.590600 0.616961 -0.174998
C 0.472801 0.491733 1.211578
C 2.608523 -0.453560 1.428634
C -3.563054 -0.331953 0.190184
C -2.103366 0.635330 -1.494076
C 1.719475 0.154795 -0.751199
C 2.780742 -0.356859 0.033713
C 3.664669 -1.003020 2.364476
C -4.040625 -1.252565 -0.727118
C -2.564505 -0.272868 -2.436083
C -3.540347 -1.230916 -2.058035
C 1.812418 0.266107 -2.232169
C 5.197152 -2.850757 2.072259
H -0.728804 0.850104 2.840647
H -3.953453 -0.338158 1.216439
H -1.348646 1.381469 -1.780566
H 4.601607 -0.422635 2.279324
H 3.317962 -1.007976 3.419339
H -4.793627 -1.978069 -0.434850
H -2.184002 -0.246360 -3.452048
H 0.894396 0.675650 -2.682006
H 2.643429 0.929199 -2.527305
H 2.003120 -0.715773 -2.695221
H -3.621192 -2.196454 -3.907442
H -4.643819 -2.874825 -2.721462
H 5.860341 -2.262361 1.432019
H 5.533939 -2.844513 3.112588
H 5.110247 -3.878878 1.696464


%chk=000224945-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000224945

0 1
Br 4.780226 -0.577309 -0.954736
S -1.927533 1.454721 1.050053
O -2.886182 1.515044 2.363424
O -1.332193 2.801710 0.377125
O 4.231049 -2.303987 2.017529
N -0.541895 0.404556 1.730476
N 1.713855 -0.161026 1.917963
N 0.728493 0.348042 -0.260226
N -4.696389 -1.849179 -3.180437
C -2.738661 0.410287 -0.251404
C 0.676475 0.204401 1.099896
C 2.911868 -0.422824 1.317972
C -3.761612 -0.467344 0.152180
C -2.346467 0.569374 -1.592486
C 1.932191 0.124010 -0.867096
C 3.054618 -0.272029 -0.085192
C 4.030520 -0.863783 2.232526
C -4.415467 -1.225216 -0.832834
C -3.008037 -0.187666 -2.572183
C -4.047352 -1.099800 -2.208545
C 1.990521 0.311488 -2.361034
C 5.403966 -2.797928 2.739314
H -0.563796 0.381531 2.757656
H -4.048910 -0.535286 1.206163
H -1.545842 1.268735 -1.848218
H 4.966261 -0.310205 1.998597
H 3.729124 -0.660935 3.279215
H -5.217776 -1.913806 -0.544623
H -2.724250 -0.079561 -3.625181
H 0.993936 0.597068 -2.728659
H 2.718615 1.097556 -2.633111
H 2.318431 -0.615376 -2.865821
H -4.444818 -1.763562 -4.161177
H -5.439781 -2.495924 -2.932240
H 6.332848 -2.295625 2.393686
H 5.300933 -2.651855 3.835631
H 5.464937 -3.874600 2.517598


