%chk=000203488.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203488

0 1
Br -4.682734 1.271506 -1.190272
Cl -0.725913 3.087369 0.164540
Cl 1.967945 -2.498627 0.545532
S 3.767096 0.249446 0.665054
O -2.773683 -1.755992 0.451788
N -2.205532 0.476459 0.192896
N 4.768221 -0.569930 -1.875094
C -0.793346 0.358835 0.285549
C 0.003910 1.535313 0.274521
C -0.141220 -0.884292 0.376046
C 2.027403 0.223638 0.449193
C 1.251946 -0.941721 0.454491
C 1.392496 1.468279 0.347227
C -3.109887 -0.610401 0.252582
C -4.552969 -0.207974 0.052464
C 4.326774 -0.242725 -0.860308
H -0.726466 -1.818341 0.386156
H -2.573749 1.436885 0.106354
H 1.982055 2.393108 0.324956
H -5.133531 -1.067829 -0.349213
H -5.031616 0.075394 1.011636


%chk=000203488-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000203488

0 1
Br -5.058871 1.718973 -0.248615
Cl -0.838269 3.145959 -0.094248
Cl 2.097180 -2.494367 0.803889
S 3.894457 0.338376 0.691963
O -2.833203 -1.809233 0.368842
N -2.192100 0.445851 0.127091
N 4.849387 -0.833132 -1.841444
C -0.787813 0.354349 0.244469
C -0.007745 1.542073 0.160936
C -0.107380 -0.877608 0.441230
C 2.056711 0.289923 0.460674
C 1.293877 -0.896259 0.552270
C 1.389801 1.519840 0.261637
C -3.111719 -0.586411 0.189472
C -4.594001 -0.237369 0.027158
C 4.421751 -0.363757 -0.825172
H -0.688848 -1.799101 0.508041
H -2.574900 1.390373 -0.022587
H 1.962554 2.447066 0.180727
H -4.994577 -0.766728 -0.850386
H -5.139093 -0.550418 0.930151


