%chk=000208890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208890

0 1
Br -4.384791 -3.118936 -1.106135
Br 4.397270 -3.128698 1.053431
O -3.474048 0.245845 -1.224514
O 3.475836 0.229542 1.246123
O -4.156805 -0.283108 0.872551
O 4.161294 -0.250166 -0.861867
C -0.000381 1.112971 0.020234
C -1.210215 0.246159 -0.343689
C 1.211858 0.242134 0.366082
C -2.412971 1.110293 -0.708102
C 2.412180 1.101837 0.748553
C -4.253050 -0.433096 -0.318410
C 4.257465 -0.426454 0.325492
C -5.197747 -1.320355 -1.110134
C 5.204656 -1.328144 1.097690
C -6.575798 -1.343617 -0.491254
C 6.582978 -1.333406 0.478997
H 0.250082 1.787081 -0.823293
H -0.252676 1.768691 0.877597
H -0.966714 -0.430393 -1.188667
H -1.475711 -0.423152 0.502351
H 0.970230 -0.452589 1.196730
H 1.479240 -0.408620 -0.493718
H -2.234409 1.768634 -1.577250
H -2.804578 1.685536 0.148730
H 2.801834 1.696376 -0.095916
H 2.231957 1.740964 1.631580
H -5.229674 -1.006227 -2.183570
H 5.235254 -1.037834 2.177849
H -6.544502 -1.629394 0.573874
H -7.055614 -0.354994 -0.543742
H -7.240696 -2.058158 -0.997464
H 6.552919 -1.595551 -0.592229
H 7.059714 -0.344715 0.553610
H 7.249917 -2.056955 0.969479


%chk=000208890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000208890

0 1
Br -4.698329 -3.137220 -0.925838
Br 4.712155 -3.142792 0.872693
O -3.492191 0.112494 -1.420872
O 3.493773 0.090574 1.439469
O -4.365891 0.030297 0.747544
O 4.369344 0.060704 -0.729508
C 0.000149 0.935743 0.017299
C -1.196843 0.074682 -0.449907
C 1.198466 0.067868 0.468138
C -2.353981 0.955793 -0.938710
C 2.353395 0.941211 0.975783
C -4.398516 -0.314210 -0.455050
C 4.402216 -0.311061 0.464923
C -5.443630 -1.227281 -1.088260
C 5.450369 -1.234274 1.078134
C -6.806455 -1.148535 -0.408131
C 6.813258 -1.135218 0.400763
H 0.320902 1.605762 -0.807104
H -0.321640 1.589668 0.854151
H -0.880530 -0.600112 -1.267738
H -1.548223 -0.559778 0.385351
H 0.882797 -0.623892 1.271904
H 1.551874 -0.548900 -0.379413
H -2.074767 1.548449 -1.825179
H -2.722146 1.617259 -0.133344
H 2.719840 1.620912 0.184915
H 2.072751 1.513863 1.874864
H -5.477599 -1.070985 -2.176092
H 5.483390 -1.102166 2.169220
H -6.712753 -1.324457 0.675272
H -7.231422 -0.136288 -0.554975
H -7.502516 -1.885477 -0.840081
H 6.720956 -1.287130 -0.686391
H 7.234287 -0.124938 0.570617
H 7.511813 -1.879066 0.816554


