%chk=000250034.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250034

0 1
Br -3.387448 2.367989 -0.412649
O -5.530900 0.024975 0.116718
N -0.811931 0.858892 -0.148767
N 0.443803 0.299194 -0.058129
N -4.043555 -1.664970 0.440813
N -2.814259 -2.187590 0.527647
C 2.811169 0.297807 -0.100325
C 1.517653 1.025443 -0.218455
C -1.899153 0.017411 0.050913
C 3.743430 0.698952 0.869481
C 3.099004 -0.774676 -0.956370
C 1.587173 2.492709 -0.506347
C 4.964528 0.029114 0.972805
C 4.325706 -1.436836 -0.847802
C -3.176937 0.542930 -0.034603
C 5.258113 -1.036051 0.113639
C -1.765898 -1.407695 0.345960
C -4.357077 -0.266779 0.155843
H 3.512578 1.521871 1.543835
H 2.366223 -1.093890 -1.697374
H 1.038239 2.757891 -1.422180
H 1.180986 3.092587 0.321262
H 2.622624 2.834442 -0.663139
H -0.947750 1.861965 -0.338480
H 5.688895 0.335222 1.726526
H 4.551613 -2.269752 -1.512714
H 6.212125 -1.554809 0.196992
H -0.765433 -1.858908 0.424583
H -4.817324 -2.328938 0.593615


%chk=000250034-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000250034

0 1
Br -3.433922 2.502864 -0.081231
O -5.611029 0.145385 -0.038594
N -0.768902 0.784392 -0.027295
N 0.481036 0.188128 -0.015757
N -4.104673 -1.642288 0.014263
N -2.879698 -2.250179 0.039511
C 2.869258 0.302880 -0.022137
C 1.546598 0.981625 -0.027246
C -1.915969 0.005599 -0.013131
C 4.063832 0.999329 0.313899
C 2.966550 -1.082328 -0.349323
C 1.431036 2.497752 -0.053822
C 5.310575 0.336167 0.323374
C 4.210215 -1.740456 -0.341591
C -3.197466 0.573100 -0.033401
C 5.392105 -1.034931 -0.006153
C -1.816416 -1.444229 0.026055
C -4.406397 -0.238813 -0.021327
H 4.031541 2.057551 0.593818
H 2.052613 -1.621837 -0.613835
H 0.793784 2.830907 -0.898128
H 0.982243 2.890785 0.880662
H 2.406891 2.983128 -0.187027
H -0.892754 1.806603 -0.037823
H 6.216421 0.890910 0.591450
H 4.263281 -2.803063 -0.603288
H 6.360303 -1.547318 -0.003982
H -0.835484 -1.917811 0.050685
H -4.909374 -2.275354 0.024674


