%chk=000187943.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187943

0 1
Br -5.875092 -0.540584 -0.001376
O 0.594280 2.238879 -0.159731
O 0.882460 -2.422288 0.135389
N 2.380549 0.696583 -0.225540
N 2.465710 -0.671671 0.199476
N 0.242188 -0.122520 -0.011452
C 3.506118 1.532142 0.293451
C 3.684832 -1.362016 -0.321758
C 4.820155 0.906126 -0.205984
C 4.912487 -0.578532 0.175216
C 1.004176 1.109353 -0.089730
C 1.150698 -1.251249 0.065308
C -1.195889 -0.212791 -0.010581
C -1.966096 0.941114 -0.226102
C -1.816875 -1.456611 0.206360
C -3.366514 0.865958 -0.226244
C -3.209088 -1.532851 0.204298
C -3.972918 -0.383678 -0.009248
C -4.180714 2.092613 -0.453634
H 3.496437 1.600208 1.403573
H 3.363341 2.559977 -0.113014
H 3.681514 -1.431099 -1.431844
H 3.670743 -2.399556 0.085009
H 5.676983 1.464764 0.217088
H 4.892027 1.017390 -1.307425
H 5.830902 -1.027234 -0.249539
H 4.999653 -0.679981 1.276511
H -1.486544 1.911894 -0.392730
H -1.228508 -2.364384 0.372983
H -3.692859 -2.498552 0.371654
H -3.567841 2.991291 -0.606162
H -4.826817 1.986845 -1.340180
H -4.846096 2.296462 0.401057


%chk=000187943-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187943

0 1
Br -5.933318 -0.560505 0.052278
O 0.599906 2.290610 0.035782
O 0.905136 -2.481471 -0.036738
N 2.358597 0.718108 -0.092503
N 2.450089 -0.697429 0.068143
N 0.271475 -0.126150 0.001868
C 3.503279 1.533386 0.350437
C 3.685111 -1.360832 -0.383915
C 4.805869 0.918772 -0.206373
C 4.903459 -0.584138 0.160802
C 1.017103 1.104113 -0.018625
C 1.168477 -1.251744 0.012098
C -1.165859 -0.221628 0.012159
C -1.956757 0.923562 -0.261595
C -1.795777 -1.460600 0.295683
C -3.372729 0.866432 -0.256544
C -3.202533 -1.534441 0.299080
C -3.970392 -0.386503 0.027711
C -4.180899 2.114136 -0.547067
H 3.536847 1.564903 1.459872
H 3.328876 2.556290 -0.019723
H 3.712943 -1.391629 -1.493503
H 3.645990 -2.396694 -0.010672
H 5.667464 1.473239 0.206056
H 4.827042 1.037067 -1.306739
H 5.824844 -1.024613 -0.259955
H 4.950356 -0.698419 1.260809
H -1.469533 1.880312 -0.459516
H -1.200828 -2.354405 0.487699
H -3.692795 -2.487903 0.514097
H -3.519937 2.975817 -0.735557
H -4.831609 1.973340 -1.429907
H -4.846495 2.365019 0.299459


