%chk=000179368.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000179368

0 1
Br -5.168206 -0.553306 1.433914
O 3.306352 -1.249393 -0.574261
O 0.391828 -1.191449 2.030714
O 1.956062 0.513119 -1.029998
C -1.130263 -0.363508 0.401940
C 1.028638 -1.598133 -0.225917
C 0.120636 -1.037361 0.865893
C -2.339033 -0.703970 1.029414
C -1.103925 0.604925 -0.609088
C 2.091866 -0.626192 -0.645507
C 4.505217 -0.472083 -0.912288
C -3.513751 -0.081238 0.606776
C -2.291495 1.227009 -1.006725
C -3.506306 0.883338 -0.405747
C 4.849966 0.456588 0.230575
H 1.499701 -2.539805 0.153350
H 0.437778 -1.901465 -1.118309
H -2.347510 -1.438925 1.839319
H -0.152430 0.889783 -1.078359
H 5.239114 -1.287112 -1.053238
H 4.319022 0.062898 -1.859969
H -2.269549 1.986197 -1.789354
H -4.432271 1.366929 -0.722905
H 5.832879 0.921806 0.088905
H 4.112155 1.267877 0.326027
H 4.868425 -0.074828 1.192236


%chk=000179368-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000179368

0 1
Br -4.173386 0.685828 2.601802
O 3.222895 -1.240811 -0.359430
O 0.219127 -2.366609 1.379112
O 1.977812 0.035564 -1.864653
C -0.979054 -0.676044 0.143426
C 1.026496 -2.033758 -0.888763
C 0.088950 -1.719665 0.304016
C -1.888718 -0.502862 1.225347
C -1.110789 0.121605 -1.024606
C 2.091462 -0.962120 -1.111662
C 4.338370 -0.237722 -0.418664
C -2.910198 0.451310 1.115853
C -2.145256 1.078216 -1.106893
C -3.057708 1.250021 -0.040898
C 4.107011 0.881826 0.598610
H 1.521797 -2.988023 -0.655551
H 0.440084 -2.126623 -1.817941
H -1.765693 -1.124592 2.117174
H -0.396686 0.027111 -1.848101
H 5.230158 -0.838550 -0.181422
H 4.401051 0.154307 -1.448880
H -2.245922 1.699854 -2.002374
H -3.862413 1.988004 -0.107654
H 4.983118 1.556360 0.611438
H 3.218367 1.479505 0.334776
H 3.974026 0.469569 1.613333


