%chk=000188469.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188469

0 1
Br 1.470560 -3.979516 0.344639
O 4.709803 1.548525 -0.124981
O -4.781391 1.510446 -0.190986
C -0.020194 -1.577261 -0.308138
C 1.210366 -0.697361 -0.219814
C -1.297445 -0.766513 -0.192395
C 0.039173 -2.688039 0.747676
C 2.310179 -0.976209 -1.056743
C -1.823620 -0.182807 -1.364889
C 1.287894 0.367547 0.683124
C -1.957483 -0.566825 1.023521
C 3.462601 -0.204218 -0.996421
C -2.987346 0.571313 -1.325708
C 2.436957 1.162644 0.764657
C -3.135793 0.187305 1.092122
C 3.512795 0.866285 -0.078220
C -3.639187 0.747525 -0.085354
C 4.884535 2.668857 0.774463
C -5.540754 1.761930 1.015569
H -0.033316 -2.069517 -1.322157
H -0.900275 -3.265855 0.782359
H 0.257396 -2.292445 1.754181
H 2.261896 -1.812324 -1.756534
H -1.306030 -0.320673 -2.315666
H 0.442860 0.595023 1.333975
H -1.562293 -0.994989 1.944690
H 4.321573 -0.405781 -1.631832
H -3.406000 1.028072 -2.219886
H 2.474791 1.985376 1.469100
H -3.632903 0.324537 2.045818
H 4.831251 2.333723 1.814108
H 4.148936 3.448637 0.557912
H 5.898842 3.003848 0.521042
H -5.910372 0.822167 1.435375
H -6.368742 2.374621 0.634910
H -4.937565 2.322855 1.734882


%chk=000188469-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188469

0 1
Br 1.480629 -4.079945 0.517444
O 4.770905 1.641092 -0.212421
O -4.856976 1.546987 -0.255108
C -0.008468 -1.618848 -0.253547
C 1.236423 -0.719207 -0.220886
C -1.315643 -0.808951 -0.181183
C 0.019751 -2.702972 0.846041
C 2.277315 -0.900094 -1.168466
C -1.830013 -0.230049 -1.373985
C 1.393003 0.292848 0.754975
C -2.024089 -0.578665 1.021885
C 3.436644 -0.103642 -1.142643
C -3.001071 0.545357 -1.368429
C 2.551369 1.100178 0.802259
C -3.208345 0.196139 1.049146
C 3.578816 0.899914 -0.153246
C -3.697690 0.762046 -0.152016
C 4.967597 2.684594 0.795075
C -5.612877 1.800774 0.973074
H -0.008161 -2.150321 -1.225094
H -0.908014 -3.295108 0.867611
H 0.255478 -2.299953 1.842652
H 2.183497 -1.684055 -1.929052
H -1.297060 -0.386541 -2.319572
H 0.592393 0.476990 1.481331
H -1.667213 -1.008106 1.965382
H 4.241926 -0.242092 -1.870301
H -3.396774 0.990018 -2.286556
H 2.635157 1.875394 1.570019
H -3.729958 0.346573 1.999116
H 4.978075 2.260874 1.818446
H 4.185348 3.465785 0.725751
H 5.949886 3.123658 0.566518
H -5.985553 0.858069 1.419415
H -6.463588 2.425183 0.663241
H -5.001022 2.346981 1.717524


