%chk=000249355.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000249355

0 1
Br -3.261682 -2.696393 -0.001170
N 1.433955 0.182032 0.000255
N 2.735123 0.607873 0.000351
N 5.005077 0.095467 0.001101
N 3.494961 -1.741779 -0.000668
C -0.901040 0.755044 0.000225
C -1.324044 -0.586640 -0.000274
C -1.863254 1.782717 0.000499
C -2.689257 -0.866866 -0.000491
C -3.225099 1.475044 0.000272
C -3.652990 0.142581 -0.000229
C 0.528154 1.126086 0.000472
C 3.682206 -0.355722 0.000178
H -0.581941 -1.388532 -0.000469
H -1.546363 2.825215 0.000901
H -3.962963 2.277025 0.000491
H -4.716465 -0.094046 -0.000408
H 0.740923 2.206272 0.000687
H 5.785872 -0.527971 -0.001524
H 5.185548 1.087998 0.000487
H 2.554115 -2.110371 -0.000774
H 4.248168 -2.399635 -0.000612


%chk=000249355-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000249355

0 1
Br -3.269213 -2.782104 -0.000834
N 1.500320 0.175019 0.000123
N 2.810958 0.693447 0.000375
N 5.049080 0.059276 0.000841
N 3.384906 -1.641523 -0.001171
C -0.871441 0.739719 0.000173
C -1.308528 -0.619337 -0.000184
C -1.850565 1.773524 0.000371
C -2.681475 -0.898223 -0.000336
C -3.226195 1.463060 0.000215
C -3.663836 0.117575 -0.000143
C 0.551232 1.092295 0.000361
C 3.719221 -0.308025 -0.000025
H -0.560632 -1.416231 -0.000315
H -1.524812 2.820529 0.000648
H -3.970796 2.266453 0.000371
H -4.728799 -0.130131 -0.000263
H 0.818343 2.163292 0.000727
H 5.808830 -0.613279 -0.001571
H 5.247549 1.056772 0.001680
H 2.376762 -1.816116 -0.001540
H 4.058095 -2.400591 -0.000206


