%chk=000179822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179822

0 1
Br -1.424024 0.941954 -2.512671
Br -0.225588 -1.274298 2.479091
Br -4.629222 0.749636 -0.179930
S 1.665915 1.182897 0.047032
O 1.124540 -1.136802 -1.158141
N -0.657705 -0.101508 -0.057127
N -2.524316 -0.242818 1.253745
C 4.090898 0.032312 0.597332
C 3.346574 0.763864 -0.511611
C 5.538276 -0.241185 0.192641
C 0.734763 -0.219343 -0.510094
C -1.748183 0.396062 -0.802782
C -1.210009 -0.484914 1.184318
C -2.867211 0.308710 0.020941
H 4.073845 0.621613 1.537931
H 3.585788 -0.928208 0.833710
H 3.838492 1.722762 -0.775907
H 3.312110 0.159023 -1.442113
H 6.091444 0.684009 -0.005925
H 6.073594 -0.774166 0.988609
H 5.599618 -0.863300 -0.708648


%chk=000179822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000179822

0 1
Br -1.577200 0.503176 -2.727553
Br -0.150006 -0.524448 2.867494
Br -4.708585 0.139799 -0.611460
S 1.688110 1.427084 0.350040
O 1.211087 -0.782897 -1.202004
N -0.637214 0.050579 0.021948
N -2.524270 -0.176436 1.273250
C 4.098320 -0.117024 0.562577
C 3.422752 0.970567 -0.288642
C 5.508636 -0.443650 0.019445
C 0.764094 0.048137 -0.390930
C -1.749184 0.158280 -0.861595
C -1.192160 -0.158021 1.302430
C -2.880218 0.035433 -0.058407
H 4.167125 0.219606 1.614122
H 3.474846 -1.030020 0.551511
H 3.974847 1.925778 -0.267553
H 3.286407 0.644681 -1.333451
H 6.165168 0.446199 0.036977
H 5.986309 -1.227459 0.633590
H 5.460735 -0.813063 -1.021386


