%chk=000229979.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229979

0 1
Br 6.321434 -0.266537 0.072968
N -2.801824 1.468028 0.091380
N 0.272986 0.661926 0.006067
N -4.450910 -0.120488 0.028298
N -0.573088 -1.581936 -0.050393
N -2.955897 -2.115941 -0.062227
C -2.146345 0.229299 0.026032
C -0.795295 -0.244455 -0.007373
C -3.212788 -0.764685 -0.008457
C -4.181048 1.204146 0.090941
C 1.671701 0.361073 0.002794
C -2.179153 2.789233 0.185822
C 2.533140 1.413706 -0.384242
C 2.204987 -0.874533 0.408325
C -1.656235 -2.448647 -0.073329
C 3.914135 1.223526 -0.361563
C 3.588519 -1.057124 0.424448
C 4.431185 -0.010064 0.042892
H 0.035659 1.642447 -0.142848
H -4.933742 1.983118 0.134196
H -2.945204 3.575093 0.328047
H -1.491577 2.845898 1.052059
H -1.624609 3.036545 -0.739068
H 2.135420 2.372280 -0.708062
H 1.550982 -1.701426 0.704816
H -1.393343 -3.520252 -0.110637
H 4.579138 2.035720 -0.661588
H 4.000973 -2.019550 0.736904


%chk=000229979-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229979

0 1
Br 6.430223 -0.227437 -0.018771
N -2.793896 1.470072 0.018208
N 0.277887 0.602908 0.017387
N -4.474882 -0.098930 0.114683
N -0.617217 -1.614162 0.145930
N -3.021247 -2.102171 0.198303
C -2.160356 0.214397 0.072853
C -0.812007 -0.265209 0.079384
C -3.226727 -0.748053 0.132682
C -4.172118 1.204398 0.046595
C 1.673950 0.335824 0.014281
C -2.190761 2.805955 -0.052372
C 2.538266 1.464568 -0.057365
C 2.239551 -0.966229 0.076851
C -1.711206 -2.445279 0.201103
C 3.937503 1.306397 -0.067361
C 3.641868 -1.123897 0.067023
C 4.480113 0.006039 -0.004832
H 0.047408 1.595431 -0.035282
H -4.903551 2.010681 0.015543
H -2.995916 3.558141 -0.065287
H -1.559235 3.009972 0.831913
H -1.599314 2.933581 -0.977780
H 2.120353 2.478778 -0.106141
H 1.573929 -1.828385 0.132491
H -1.483973 -3.513996 0.253565
H 4.590132 2.182047 -0.122631
H 4.070423 -2.129042 0.115228


