%chk=000208330.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000208330

0 1
Br -3.077769 -2.715351 0.032922
O 0.126119 2.293648 0.069930
O -3.994427 0.248313 0.078036
N 0.072248 -0.018472 0.040538
N -1.962672 1.286316 0.063843
C -0.666615 -1.213699 0.031459
C 1.535179 -0.036470 0.033098
C -0.554939 1.291044 0.057624
C -2.035383 -1.145896 0.042471
C -2.795184 0.098133 0.061666
C 0.063871 -2.509240 0.010411
C 2.212193 -0.020829 -1.194700
C 2.224073 -0.059331 1.254153
C -2.629493 2.618485 0.058540
C 3.609550 -0.036310 -1.190328
C 3.621323 -0.074521 1.235747
C 4.312304 -0.065916 0.019167
H 1.160490 -2.427600 0.001472
H -0.217394 -3.106066 -0.877396
H -0.201645 -3.125833 0.889545
H 1.660253 0.017960 -2.133219
H 1.681254 -0.050181 2.198737
H -2.678833 3.019430 -0.967879
H -2.075116 3.334009 0.690665
H -3.661972 2.518787 0.445542
H 4.152237 -0.018237 -2.135806
H 4.173144 -0.086164 2.176024
H 5.402004 -0.074108 0.013742


%chk=000208330-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000208330

0 1
Br -3.152168 -2.758582 0.070710
O 0.144299 2.315557 0.035917
O -4.060793 0.242152 0.085609
N 0.058107 -0.033978 0.036256
N -1.950608 1.274801 0.059790
C -0.688673 -1.228823 0.042794
C 1.519655 -0.039858 0.023601
C -0.545265 1.261258 0.043420
C -2.070172 -1.148543 0.059510
C -2.805024 0.117911 0.069844
C 0.047595 -2.548039 0.030921
C 2.204195 -0.021179 -1.210322
C 2.225305 -0.041525 1.245747
C -2.585214 2.613588 0.068084
C 3.616670 -0.017558 -1.219216
C 3.637777 -0.037951 1.230557
C 4.334303 -0.028531 -0.000409
H 1.137904 -2.417202 0.002942
H -0.262317 -3.146800 -0.843919
H -0.217277 -3.138458 0.926236
H 1.636543 0.001429 -2.146461
H 1.673799 -0.034437 2.191761
H -2.285395 3.177619 -0.830262
H -2.259721 3.178456 0.956871
H -3.673316 2.458702 0.083624
H 4.153847 0.000154 -2.173355
H 4.191185 -0.036075 2.175543
H 5.429560 -0.022187 -0.009790


