%chk=000230185.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230185

0 1
Br 1.823515 -3.159767 1.192016
Br -0.668856 -1.177374 -2.868042
O 0.940397 -0.163950 1.244149
O -3.652461 1.849238 1.402660
O -4.555192 1.794262 -0.793354
O 4.184901 1.049193 0.194563
C 0.304683 -0.932220 0.193863
C -0.995652 -0.230368 -0.158923
C 0.049210 -2.294000 0.869789
C -1.653600 0.470701 0.890009
C -1.539222 -0.247896 -1.441203
C -2.827306 1.107661 0.571514
C -3.372304 1.075525 -0.751154
C 1.957505 0.761417 0.813869
C -0.808305 -3.232616 0.056203
C -2.749510 0.406585 -1.778287
C 3.270959 0.003258 0.591698
C -4.764847 2.310145 0.565261
C 5.557568 0.595163 0.057231
C 6.310981 1.843545 -0.366684
H 0.984773 -1.019562 -0.683944
H -0.365048 -2.131427 1.893003
H -1.211842 0.502978 1.888907
H 1.641040 1.321223 -0.081143
H 2.022543 1.451066 1.677869
H -1.802429 -2.801801 -0.138404
H -0.365825 -3.471993 -0.922196
H -0.968697 -4.190129 0.572742
H -3.159251 0.384453 -2.787476
H 3.621138 -0.487818 1.516178
H 3.197317 -0.745977 -0.215052
H -5.688761 1.863188 0.955529
H -4.721254 3.406529 0.519095
H 5.595569 -0.201520 -0.705797
H 5.902394 0.202517 1.029673
H 7.377191 1.641336 -0.508827
H 5.907765 2.246999 -1.305536
H 6.207614 2.639335 0.383603


%chk=000230185-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000230185

0 1
Br 1.577323 -3.608488 1.384299
Br -0.258939 -1.021657 -2.885858
O 1.011648 -0.443126 1.462399
O -3.682677 1.772164 1.371083
O -4.292967 2.004139 -0.944127
O 4.102925 1.200316 0.202661
C 0.309782 -1.160482 0.389370
C -0.904122 -0.343023 -0.073823
C -0.119797 -2.511471 1.003942
C -1.680610 0.304300 0.938635
C -1.288348 -0.183716 -1.427122
C -2.786664 1.050921 0.546806
C -3.148265 1.189351 -0.811279
C 1.911478 0.625853 0.990112
C -1.053780 -3.364616 0.142717
C -2.414285 0.584899 -1.831589
C 3.287259 0.056223 0.616058
C -4.662479 2.402183 0.445637
C 5.479536 0.812619 -0.142455
C 6.232566 2.082518 -0.536051
H 0.981470 -1.350514 -0.469785
H -0.524826 -2.337790 2.015236
H -1.366206 0.228991 1.982462
H 1.471648 1.171925 0.132297
H 2.013509 1.323813 1.836919
H -2.015051 -2.837435 -0.005222
H -0.615308 -3.570521 -0.848146
H -1.260577 -4.326738 0.639049
H -2.686326 0.702223 -2.881877
H 3.736352 -0.457685 1.492450
H 3.204287 -0.683249 -0.211632
H -5.670886 2.016171 0.670794
H -4.587926 3.499241 0.533492
H 5.462264 0.080915 -0.981092
H 5.958430 0.318238 0.732228
H 7.277851 1.844234 -0.804997
H 5.748252 2.566162 -1.401846
H 6.240161 2.801011 0.301657


