%chk=000220653.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000220653

0 1
Br -1.503059 -2.263348 -2.280252
S 0.731900 0.515884 0.464635
O 0.258271 -0.294327 1.577879
O 0.497693 1.945349 0.451538
C 0.029862 -0.166818 -1.026993
C -1.140355 -1.076550 -0.705086
C 2.431891 0.232651 0.260869
C -2.391528 -0.323783 -0.348522
C 3.238014 1.219405 -0.314130
C 2.997776 -0.966052 0.704755
C -2.788519 -0.287918 0.997952
C -3.152023 0.348720 -1.316610
C 4.608552 0.995327 -0.475339
C 4.367991 -1.192845 0.544936
C -3.943965 0.405033 1.367660
C -4.306924 1.039194 -0.940707
C 5.171503 -0.212446 -0.048030
C -4.706361 1.066056 0.399748
H 0.798034 -0.701489 -1.624179
H -0.299047 0.649977 -1.709835
H -0.870212 -1.807736 0.102391
H 2.800918 2.174508 -0.627024
H 2.373194 -1.724073 1.190055
H -2.177225 -0.778910 1.762160
H -2.852430 0.330981 -2.364335
H 5.237244 1.762704 -0.924968
H 4.809642 -2.127376 0.888385
H -4.245429 0.433063 2.413888
H -4.897120 1.557762 -1.694355
H 6.241105 -0.387989 -0.172199
H -5.607194 1.604446 0.689112


%chk=000220653-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000220653

0 1
Br -1.851595 -2.625789 -2.131363
S 0.720671 0.315242 0.514138
O 0.379872 -0.601737 1.831911
O 0.310217 1.894178 0.409038
C -0.073311 -0.645302 -1.046165
C -1.363288 -1.284220 -0.577544
C 2.592167 0.192730 0.212503
C -2.518658 -0.372504 -0.285444
C 3.217397 1.250357 -0.466631
C 3.271173 -0.920083 0.734571
C -3.244904 -0.559421 0.919129
C -2.895894 0.675349 -1.166263
C 4.616885 1.166573 -0.657884
C 4.669978 -0.984693 0.533053
C -4.324838 0.289033 1.242143
C -3.977650 1.519137 -0.846173
C 5.335512 0.051251 -0.165245
C -4.695033 1.329107 0.359402
H 0.703136 -1.375754 -1.316865
H -0.178715 0.151199 -1.796069
H -1.170633 -1.977772 0.255299
H 2.635155 2.114890 -0.802915
H 2.730588 -1.685314 1.301985
H -2.948368 -1.356430 1.610358
H -2.357671 0.819977 -2.110242
H 5.142160 1.972112 -1.181393
H 5.236050 -1.834977 0.927311
H -4.870905 0.143534 2.180216
H -4.262730 2.324698 -1.531327
H 6.419266 -0.004606 -0.314202
H -5.533836 1.988633 0.608069


