%chk=000289353.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289353

0 1
Br 3.338063 -1.802473 1.243555
Br -3.334655 -1.806635 -1.242829
O 1.521734 -0.670601 -1.029154
O 2.420567 1.010433 0.356242
O -2.420682 1.006262 -0.354555
O -1.519097 -0.672974 1.031272
C -0.000019 0.943444 0.000888
C 0.283748 0.043527 -1.220936
C 1.238755 1.823695 0.253480
C -1.240274 1.821586 -0.251803
C -0.282268 0.043195 1.222824
C 2.657263 0.156327 -0.775937
C -2.656024 0.152000 0.777742
C 3.783661 -0.779438 -0.363861
C -3.780685 -0.786091 0.366092
H -0.457360 -0.784422 -1.293630
H 0.327044 0.605486 -2.165792
H 1.383907 2.572895 -0.544283
H 1.221390 2.325641 1.238900
H -1.386731 2.570585 0.545905
H -1.223757 2.323492 -1.237257
H 0.460216 -0.783520 1.295570
H -0.326425 0.605204 2.167615
H 2.883525 0.778970 -1.666358
H -2.883395 0.774484 1.667991
H 4.704618 -0.211324 -0.137457
H 3.989031 -1.515998 -1.163820
H -4.703398 -0.220160 0.141552
H -3.983052 -1.523991 1.165640


%chk=000289353-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000289353

0 1
Br 3.828578 -1.926316 1.143056
Br -3.823818 -1.932437 -1.141456
O 1.595344 -0.770031 -0.968791
O 2.440916 0.963278 0.502472
O -2.441020 0.959100 -0.500572
O -1.592525 -0.772735 0.970773
C 0.000017 0.871914 0.000930
C 0.349452 -0.016484 -1.220794
C 1.222612 1.769291 0.305974
C -1.224105 1.767216 -0.304084
C -0.347873 -0.017101 1.222651
C 2.696690 0.126802 -0.668290
C -2.695383 0.122261 0.670197
C 3.960790 -0.682725 -0.434667
C -3.958049 -0.689510 0.436634
H -0.425006 -0.776024 -1.398869
H 0.470494 0.614069 -2.131188
H 1.379981 2.490523 -0.529997
H 1.098098 2.334713 1.244945
H -1.382686 2.488144 0.531919
H -1.100599 2.332881 -1.243040
H 0.427888 -0.775336 1.400662
H -0.469886 0.613234 2.133068
H 2.857570 0.803844 -1.549904
H -2.857387 0.799072 1.551775
H 4.807695 -0.016009 -0.218017
H 4.165186 -1.325123 -1.303175
H -4.806287 -0.024367 0.220372
H -4.160987 -1.332542 1.305014


