%chk=000181032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181032

0 1
Br 4.113856 2.667413 -0.833282
O -4.687603 -1.927853 -0.961380
N -1.921759 1.985695 0.151522
N 3.770407 0.018201 -0.257421
C -0.681102 1.173960 0.424717
C -0.868110 -0.313536 0.109137
C 0.463011 1.821711 -0.421615
C -3.272658 0.000560 -0.414247
C -3.180717 1.247142 0.490521
C 1.689815 0.999838 -0.321580
C 0.365270 -1.119281 0.213367
C 1.556661 -0.402509 -0.018688
C -2.043708 -0.844723 -0.252582
C 2.845499 -1.004930 0.020359
C -4.550552 -0.795349 -0.093320
C -1.882119 3.275303 0.907466
C 3.044971 1.214940 -0.458138
C 0.494633 -2.470523 0.495144
C 2.959827 -2.383604 0.305847
C 1.782384 -3.077824 0.536021
H -0.384332 1.227943 1.508944
H 0.638466 2.864267 -0.091122
H 0.136578 1.892405 -1.484040
H -3.308824 0.340322 -1.484633
H -4.038614 1.924790 0.291091
H -3.238315 0.950087 1.559570
H -2.172121 -1.906709 -0.469204
H -5.456124 -0.169264 -0.178163
H -4.516038 -1.264528 0.908663
H -1.897676 3.171657 2.002451
H -2.741103 3.894430 0.602112
H -0.973043 3.833590 0.626864
H -0.379815 -3.085461 0.691636
H 4.767911 -0.077478 -0.310828
H 3.926871 -2.871279 0.341982
H 1.830538 -4.144584 0.760876
H -4.675966 -1.648319 -1.898247


%chk=000181032-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181032

0 1
Br 4.123771 2.860763 -0.411386
O -4.796226 -2.036260 -0.718423
N -1.927381 1.977538 0.062174
N 3.825948 0.000010 -0.024106
C -0.691166 1.200078 0.355989
C -0.854656 -0.294380 -0.008389
C 0.537073 1.864866 -0.363167
C -3.340488 -0.018898 -0.388258
C -3.164515 1.259962 0.452845
C 1.761142 1.010089 -0.187920
C 0.380822 -1.113562 0.083471
C 1.602922 -0.404935 0.012494
C -2.059217 -0.817990 -0.373778
C 2.880076 -1.031072 0.103381
C -4.534751 -0.859180 0.124766
C -1.898230 3.340809 0.635152
C 3.132575 1.220172 -0.198045
C 0.482446 -2.515016 0.255045
C 2.978717 -2.430467 0.268861
C 1.758149 -3.146923 0.338938
H -0.465853 1.231031 1.458193
H 0.707452 2.880048 0.036693
H 0.276832 1.973873 -1.434889
H -3.567833 0.290592 -1.433655
H -4.019732 1.942107 0.287552
H -3.163221 0.985889 1.541266
H -2.139170 -1.874298 -0.662913
H -5.441680 -0.220347 0.202005
H -4.314054 -1.281240 1.119903
H -1.766625 3.347815 1.746993
H -2.847871 3.852426 0.399531
H -1.084841 3.936626 0.190152
H -0.420839 -3.127588 0.348788
H 4.838891 -0.093185 -0.002312
H 3.939107 -2.951027 0.343783
H 1.796627 -4.233747 0.475123
H -5.007801 -1.728079 -1.636058


