%chk=000258735.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258735

0 1
Br 3.842749 -3.043190 -0.000241
Br -4.773352 -2.065594 0.000063
N 0.002237 1.670204 0.000101
C 1.062944 0.730878 -0.000049
C 0.489728 -0.589785 -0.000062
C -0.949464 -0.438543 -0.000013
C -1.222053 0.974412 0.000025
C 2.466832 0.909511 -0.000067
C 1.308156 -1.725268 -0.000111
C 0.133146 3.130984 -0.000351
C -2.006678 -1.353935 0.000014
C -2.541692 1.462885 0.000081
C 3.258243 -0.239197 -0.000128
C 2.680036 -1.522636 -0.000151
C 3.105180 2.257751 -0.000036
C -3.300987 -0.846878 0.000057
C -3.576149 0.536695 0.000089
H 0.867358 -2.721538 -0.000119
H 0.676374 3.478137 0.897787
H 0.675433 3.477725 -0.899214
H -0.860080 3.614410 0.000073
H -1.806819 -2.425872 -0.000015
H -2.746362 2.529027 0.000103
H 4.345935 -0.142010 -0.000168
H 2.823963 2.836849 0.890730
H 4.203786 2.197938 0.000308
H 2.824500 2.836619 -0.891121
H -4.612065 0.882819 0.000115


%chk=000258735-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258735

0 1
Br 3.893376 -3.095699 -0.000264
Br -4.843217 -2.111232 0.000109
N 0.000443 1.677685 0.000014
C 1.061338 0.737120 -0.000033
C 0.488869 -0.584990 -0.000035
C -0.955347 -0.431895 0.000014
C -1.222756 0.978637 0.000011
C 2.473676 0.929141 -0.000068
C 1.307968 -1.737655 -0.000090
C 0.108365 3.140190 -0.000374
C -2.021413 -1.361093 0.000048
C -2.547645 1.470376 0.000021
C 3.269571 -0.241265 -0.000152
C 2.694022 -1.537029 -0.000163
C 3.167442 2.283173 0.000005
C -3.331108 -0.853819 0.000067
C -3.606845 0.538865 0.000052
H 0.876248 -2.742250 -0.000087
H 0.634274 3.506741 0.897888
H 0.633450 3.506339 -0.899296
H -0.902533 3.574578 0.000014
H -1.835024 -2.438827 0.000054
H -2.776947 2.540402 0.000006
H 4.359416 -0.138540 -0.000186
H 2.913184 2.883289 0.892569
H 4.261803 2.147277 0.000006
H 2.913185 2.883390 -0.892494
H -4.642896 0.889488 0.000063


