%chk=000232059.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232059

0 1
Br 2.768618 -0.723329 -1.050242
O 0.824777 -2.315404 1.249669
O -0.508154 -2.689694 -0.501636
O 2.675901 1.894720 1.290938
O 1.390687 2.413541 -0.469038
C 0.120195 -0.345343 0.100906
C -0.436284 0.120112 -1.258564
C -0.723729 0.220380 1.269364
C -2.774343 0.410875 -0.245204
C -1.935202 -0.161445 -1.403215
C -2.215028 -0.087028 1.103675
C 1.597631 0.069916 0.307706
C 0.069032 -1.879905 0.176462
C -2.854323 1.939418 -0.300754
C 1.822340 1.561325 0.265792
H 0.106373 -0.371427 -2.091134
H -0.247208 1.210625 -1.377285
H -0.586227 1.320045 1.319475
H -0.359022 -0.185502 2.234035
H -3.815404 0.009827 -0.348114
H -2.291030 0.250900 -2.366549
H -2.097829 -1.259386 -1.467166
H -2.389713 -1.177956 1.188492
H -2.778652 0.373206 1.937810
H 1.967346 -0.343521 1.292266
H -1.860878 2.401520 -0.253638
H -3.320819 2.278442 -1.232356
H -3.444879 2.342239 0.528135
H 0.836766 -3.305227 1.335880
H 2.906260 2.864977 1.303391


%chk=000232059-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232059

0 1
Br 2.874229 -0.585874 -1.138148
O 0.713080 -2.328725 1.399248
O -0.332219 -2.721943 -0.627350
O 2.891633 1.873863 1.252339
O 1.214491 2.513081 -0.217086
C 0.133916 -0.362410 0.077654
C -0.456749 0.072413 -1.294204
C -0.728589 0.224014 1.260525
C -2.804255 0.417647 -0.249551
C -1.979051 -0.186160 -1.418001
C -2.232742 -0.097035 1.099037
C 1.596263 0.099882 0.319546
C 0.127227 -1.902771 0.192272
C -2.874316 1.963518 -0.310600
C 1.833756 1.604691 0.377904
H 0.069104 -0.469908 -2.099647
H -0.241922 1.146079 -1.427805
H -0.594658 1.321097 1.268779
H -0.352376 -0.168634 2.222898
H -3.842330 0.035671 -0.338977
H -2.326597 0.242270 -2.378457
H -2.158845 -1.275560 -1.469194
H -2.390041 -1.192670 1.169055
H -2.783360 0.358527 1.945362
H 2.006170 -0.365455 1.227666
H -1.874660 2.433858 -0.274756
H -3.357318 2.290948 -1.250020
H -3.467808 2.367350 0.531519
H 0.706454 -3.323007 1.434072
H 3.078717 2.852145 1.255023


