%chk=000228438.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228438

0 1
Br 1.087240 -1.996467 -0.885015
O -1.739261 0.124941 -0.399791
O -0.774712 -0.516449 1.538979
C 1.724559 0.691603 0.145869
C 0.572030 -0.137829 -0.500469
C 1.146727 2.076275 0.497697
C 2.253828 0.009670 1.410580
C 2.851301 0.853196 -0.886064
C -0.658821 -0.221166 0.374494
C -3.064795 0.072571 0.238557
C -4.012200 0.497757 -0.861345
H 0.303754 0.303583 -1.493924
H 0.411964 2.017945 1.310001
H 0.664219 2.556855 -0.359052
H 1.938212 2.752647 0.841455
H 2.819342 -0.902312 1.186948
H 1.435539 -0.282777 2.087801
H 2.920244 0.670728 1.973641
H 3.668045 1.461058 -0.479337
H 3.290260 -0.110596 -1.172099
H 2.508188 1.343186 -1.802604
H -3.224901 -0.963107 0.585328
H -3.047509 0.760301 1.101049
H -5.053636 0.476968 -0.518287
H -3.791009 1.514293 -1.214081
H -3.931208 -0.163075 -1.736329


%chk=000228438-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228438

0 1
Br 0.908271 -1.913870 -1.058037
O -1.819638 0.191489 -0.475241
O -0.813786 -0.236293 1.582306
C 1.793884 0.706004 0.177867
C 0.558699 0.038261 -0.485095
C 1.340052 2.142737 0.591817
C 2.309286 -0.054235 1.425756
C 2.928347 0.826752 -0.874367
C -0.718579 -0.029850 0.351178
C -3.164145 0.083717 0.177268
C -4.202644 0.286193 -0.920244
H 0.324642 0.517405 -1.449245
H 0.580270 2.111907 1.392253
H 0.929764 2.706692 -0.267524
H 2.214428 2.699590 0.974159
H 2.673563 -1.060096 1.152401
H 1.514939 -0.168396 2.180872
H 3.150707 0.506126 1.873653
H 3.789635 1.359559 -0.432333
H 3.274537 -0.166987 -1.207683
H 2.596198 1.394239 -1.764939
H -3.232979 -0.911271 0.652910
H -3.224312 0.851060 0.970160
H -5.218215 0.213274 -0.490334
H -4.094759 1.279027 -1.389375
H -4.100767 -0.483235 -1.704181


