%chk=000186348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186348

0 1
Br 3.482720 -3.906479 -0.936845
Br -3.483573 -3.905727 0.936844
O 4.135535 -1.759024 1.316271
O -4.136203 -1.758112 -1.316245
C 0.719695 1.128270 0.067492
C -0.719608 1.128425 -0.067645
C 1.431450 -0.104188 0.127062
C -1.431629 -0.103880 -0.127192
C 1.423610 2.362131 0.140424
C -1.423258 2.362439 -0.140584
C 2.831255 -0.072668 0.250591
C -2.831426 -0.072069 -0.250688
C 0.673887 -1.343263 0.061951
C -0.674336 -1.343117 -0.062089
C 0.674104 3.604973 0.067350
C -0.673483 3.605118 -0.067507
C 2.821418 2.353813 0.282716
C -2.821070 2.354418 -0.282873
C 3.514794 1.146464 0.341346
C -3.514708 1.147213 -0.341469
C 3.639491 -1.335955 0.304832
C -3.639967 -1.335160 -0.304846
C 3.830573 -1.998480 -1.048030
C -3.831088 -1.997653 1.048030
H 1.223285 -2.286517 0.124214
H -1.223945 -2.286249 -0.124364
H 1.237757 4.537178 0.124720
H -1.236937 4.537444 -0.124865
H 3.366166 3.295331 0.351583
H -3.365622 3.296047 -0.351766
H 4.599598 1.151354 0.464992
H -4.599512 1.152339 -0.465124
H 3.170217 -1.578932 -1.829889
H 4.876304 -1.863141 -1.389571
H -3.170615 -1.578215 1.829844
H -4.876780 -1.862125 1.389629


%chk=000186348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000186348

0 1
Br 3.199301 -4.080876 0.111200
Br -3.200618 -4.080320 -0.111241
O 4.919039 -1.177891 0.767636
O -4.919486 -1.176849 -0.767529
C 0.718388 1.199508 0.063570
C -0.718269 1.199643 -0.063703
C 1.455618 -0.044925 0.098475
C -1.455744 -0.044650 -0.098557
C 1.422539 2.456726 0.163641
C -1.422169 2.456997 -0.163827
C 2.888651 -0.007824 0.218330
C -2.888773 -0.007272 -0.218403
C 0.690065 -1.268842 0.053729
C -0.690423 -1.268712 -0.053773
C 0.686340 3.695793 0.084699
C -0.685727 3.695923 -0.084938
C 2.832103 2.451328 0.348552
C -2.831735 2.451868 -0.348734
C 3.542962 1.245253 0.383839
C -3.542830 1.245933 -0.383961
C 3.819121 -1.186705 0.141623
C -3.819505 -1.185944 -0.141625
C 3.542321 -2.324765 -0.848286
C -3.542933 -2.324080 0.848263
H 1.198474 -2.233039 0.138493
H -1.199013 -2.232814 -0.138506
H 1.240846 4.638132 0.157248
H -1.240048 4.638367 -0.157531
H 3.362334 3.404702 0.449874
H -3.361777 3.405342 -0.450104
H 4.629226 1.239409 0.516085
H -4.629096 1.240295 -0.516202
H 2.678441 -2.160169 -1.505777
H 4.458430 -2.514388 -1.428170
H -2.678920 -2.159750 1.505648
H -4.459033 -2.513401 1.428260


