%chk=000251465.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000251465

0 1
Br -5.459537 1.261853 -1.391709
O -0.256237 2.163345 -0.032067
N -0.207816 -0.564779 1.183689
N 2.001331 -1.295289 1.095776
N 3.634098 -0.412725 -0.523224
N 3.036116 1.229824 -2.056724
N 0.751181 1.841760 -0.593889
N 4.243196 -2.022191 1.088421
C -1.420402 -0.085853 0.554649
C 1.053052 -0.401672 0.639858
C -0.394858 -1.534552 2.299920
C 1.399748 0.632301 -0.308433
C -1.665679 -0.369518 -0.800834
C -2.369339 0.603330 1.332138
C 2.689553 0.488140 -0.955427
C -2.867541 0.042350 -1.380871
C -3.569664 1.008321 0.746649
C 3.267306 -1.217733 0.543308
C -3.807970 0.718457 -0.600138
H -0.181641 -2.566794 1.964958
H -1.422244 -1.491544 2.690188
H 0.309509 -1.302459 3.120859
H -0.920793 -0.892819 -1.400544
H -2.156786 0.848173 2.372666
H -3.061403 -0.166741 -2.434649
H -4.306330 1.554240 1.339261
H 2.454804 2.001042 -2.357987
H 3.978096 1.186238 -2.419377
H 3.996158 -2.713054 1.779981
H 5.139393 -2.102151 0.632154


%chk=000251465-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000251465

0 1
Br -5.526069 0.948513 -1.583019
O -0.177518 2.299026 0.169582
N -0.175898 -0.420762 1.277009
N 1.967339 -1.319274 1.040245
N 3.582944 -0.512870 -0.634763
N 3.099140 1.387381 -1.910897
N 0.883565 1.954507 -0.505994
N 4.070059 -2.289386 0.790954
C -1.386018 -0.028957 0.594744
C 1.069505 -0.354680 0.670124
C -0.323254 -1.313979 2.456193
C 1.444263 0.689409 -0.272631
C -1.580821 -0.389321 -0.761495
C -2.433133 0.608499 1.303997
C 2.725569 0.497570 -0.948104
C -2.796030 -0.089319 -1.413822
C -3.655651 0.896441 0.667297
C 3.175698 -1.330268 0.390863
C -3.824056 0.545332 -0.689696
H -0.332542 -2.376977 2.152960
H -1.270876 -1.073132 2.961012
H 0.520359 -1.163149 3.145871
H -0.786919 -0.905856 -1.310511
H -2.275480 0.927853 2.338806
H -2.940194 -0.364074 -2.462538
H -4.454841 1.405896 1.212817
H 2.486212 2.190107 -2.070980
H 4.019741 1.304116 -2.336508
H 3.808523 -2.933802 1.532591
H 4.971685 -2.349345 0.324493


