%chk=000257178.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257178

0 1
Br 2.206297 4.466509 0.292582
O 0.330878 -0.243259 2.521847
O 0.938306 0.730329 -2.153697
O 2.032365 -3.324220 -0.381113
N 1.161838 -1.760600 1.072744
N 1.480808 -1.263278 -1.255552
C 0.458588 0.523130 0.220487
C -1.055907 0.818848 0.090719
C -1.888009 -0.422800 -0.244933
C 1.264456 1.782000 0.642084
C -3.391712 -0.082467 -0.370787
C 0.625581 -0.478030 1.373278
C 0.960630 0.056210 -1.148582
C 1.076346 2.967488 -0.289649
C -4.003735 0.248128 0.994884
C -4.135923 -1.254910 -1.021980
C 1.593830 -2.210865 -0.203102
H -1.414452 1.268170 1.042786
H -1.208904 1.593360 -0.690597
H -1.538804 -0.871701 -1.195468
H -1.756404 -1.204955 0.527509
H 2.342568 1.517680 0.713638
H 0.961814 2.063701 1.679662
H -3.500008 0.811999 -1.034451
H 0.036778 3.339048 -0.297354
H 1.361207 2.734491 -1.337401
H -3.500231 1.095302 1.472681
H -3.939089 -0.600129 1.685972
H -5.064081 0.508725 0.901932
H -4.048991 -2.172929 -0.430375
H -5.205574 -1.037121 -1.122135
H -3.754253 -1.470579 -2.025653
H 1.254865 -2.433347 1.853405
H 1.808720 -1.571329 -2.187583


%chk=000257178-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257178

0 1
Br 2.278215 4.437935 0.481276
O 0.195982 -0.409860 2.480375
O 0.765151 0.679759 -2.233467
O 2.514196 -3.214392 -0.407952
N 1.348264 -1.766601 1.010430
N 1.649061 -1.219960 -1.268325
C 0.437138 0.440444 0.189376
C -1.087594 0.781924 0.094229
C -1.979215 -0.436309 -0.234643
C 1.279773 1.704591 0.649474
C -3.481642 -0.079129 -0.404238
C 0.631195 -0.595978 1.315588
C 0.941758 -0.006874 -1.191971
C 1.085441 2.949654 -0.222784
C -4.108698 0.448880 0.908822
C -4.265007 -1.308834 -0.922002
C 1.884775 -2.143582 -0.233262
H -1.381112 1.224421 1.062770
H -1.218407 1.545631 -0.693792
H -1.626340 -0.904718 -1.177110
H -1.888197 -1.201117 0.564564
H 2.353882 1.437972 0.669152
H 0.976782 1.923215 1.689216
H -3.553483 0.722258 -1.170824
H 0.069876 3.364876 -0.167342
H 1.386913 2.805375 -1.268261
H -3.626741 1.379002 1.259961
H -4.018004 -0.304963 1.714562
H -5.183712 0.665045 0.768023
H -4.217072 -2.139797 -0.191646
H -5.331122 -1.063343 -1.081022
H -3.854409 -1.676026 -1.881281
H 1.497458 -2.431393 1.777223
H 2.014693 -1.485509 -2.189322


