%chk=000191506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191506

0 1
Br 2.068151 0.678745 -2.315516
O 1.740434 -0.404994 1.358444
N -0.314069 -2.065945 0.660599
C -1.199965 -0.036700 -0.540628
C 0.031595 -0.940043 -0.240520
C -1.736587 0.647096 0.734330
C -2.288420 -0.858385 -1.235296
C 1.204727 -0.111602 0.313971
C -2.530822 1.910586 0.414125
C 1.682450 1.100551 -0.459099
H -0.861021 0.755552 -1.256709
H 0.366802 -1.402732 -1.213880
H -0.906413 0.901085 1.421131
H -2.378490 -0.061030 1.296809
H -1.948823 -1.240031 -2.204361
H -3.190178 -0.261763 -1.407600
H -2.576965 -1.733115 -0.634850
H -2.928526 2.368254 1.327831
H -3.385738 1.694939 -0.238695
H -1.917170 2.664949 -0.090046
H -0.720306 -1.726578 1.528762
H 0.526466 -2.583567 0.916898
H 0.925845 1.908884 -0.435231
H 2.609725 1.507845 -0.004669


%chk=000191506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191506

0 1
Br 2.255502 0.601745 -2.334603
O 1.704414 -0.348298 1.526676
N -0.338073 -1.960813 0.767206
C -1.149935 0.053031 -0.548457
C 0.048203 -0.916553 -0.178192
C -1.670823 0.797035 0.707890
C -2.252350 -0.774303 -1.243940
C 1.227434 -0.113346 0.380870
C -2.806844 1.803178 0.419589
C 1.809336 1.058904 -0.406120
H -0.763842 0.795554 -1.279766
H 0.391735 -1.349513 -1.143594
H -0.832163 1.340744 1.192171
H -2.006916 0.036128 1.437829
H -1.852965 -1.309695 -2.126640
H -3.079313 -0.131947 -1.593578
H -2.664054 -1.519936 -0.540055
H -3.075710 2.362961 1.334196
H -3.721028 1.296745 0.061907
H -2.506832 2.540121 -0.350380
H 0.178775 -1.934325 1.651311
H -0.472303 -2.893194 0.379417
H 1.096457 1.897571 -0.471439
H 2.753996 1.380207 0.053501


