%chk=000291131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291131

0 1
Br 1.467012 -2.106762 -2.308838
O -0.549820 -4.003506 0.652081
O 0.567795 -4.834121 -1.125156
N 0.115602 -0.131561 0.115450
C -0.414949 0.622602 1.291690
C 0.676320 0.732995 -0.949412
C -1.743859 1.268682 0.974289
C 2.037061 1.272781 -0.574315
C 0.028334 -1.489667 0.139052
C -1.856218 2.665867 0.967958
C 2.262804 2.656849 -0.614597
C -2.866954 0.475886 0.697435
C 3.077443 0.408204 -0.206792
C -3.088904 3.265276 0.692426
C 3.522855 3.169224 -0.293599
C -4.095531 1.080349 0.418922
C 4.334456 0.926310 0.116471
C 0.478809 -2.437609 -0.741071
C -4.208928 2.474718 0.417496
C 4.559928 2.305886 0.073608
C 0.228122 -3.853983 -0.508209
C -0.870804 -5.364528 1.030345
H 0.344894 1.385500 1.592399
H -0.522633 -0.052512 2.172911
H -0.047896 1.565852 -1.134105
H 0.731360 0.190623 -1.923908
H -0.501554 -1.892683 1.041487
H -0.988480 3.288495 1.179598
H 1.462934 3.336245 -0.902194
H -2.783901 -0.610360 0.691398
H 2.910032 -0.670161 -0.177430
H -3.175500 4.351077 0.691350
H 3.696888 4.243355 -0.331059
H -4.966605 0.462815 0.201661
H 5.141346 0.250667 0.398258
H -5.167925 2.943196 0.201765
H 5.540825 2.706272 0.322749
H -1.341686 -5.883520 0.188244
H -1.561173 -5.229637 1.867587
H 0.046599 -5.880115 1.331153


%chk=000291131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291131

0 1
Br 1.322865 -2.496109 -2.510171
O -0.453332 -4.250936 0.836852
O 0.544054 -5.133555 -1.085973
N 0.045146 -0.327125 0.042654
C -0.457685 0.420718 1.226089
C 0.599776 0.530280 -1.037776
C -1.660696 1.310373 0.915055
C 1.884550 1.246128 -0.625182
C 0.013100 -1.696555 0.068191
C -1.669726 2.666904 1.320982
C 1.945183 2.661598 -0.610179
C -2.793480 0.785027 0.242238
C 3.039699 0.504051 -0.266244
C -2.795900 3.485290 1.071734
C 3.139352 3.328225 -0.249323
C -3.917048 1.601131 -0.012307
C 4.231432 1.167503 0.098492
C 0.422586 -2.714026 -0.779553
C -3.922711 2.953908 0.404450
C 4.285469 2.582039 0.107342
C 0.209082 -4.124520 -0.418435
C -0.688140 -5.645677 1.264030
H 0.364240 1.040650 1.633141
H -0.723398 -0.318497 2.003653
H -0.174071 1.273168 -1.306531
H 0.776207 -0.101486 -1.920964
H -0.448472 -2.101802 0.978460
H -0.793528 3.084234 1.833441
H 1.056208 3.243155 -0.886591
H -2.790103 -0.260883 -0.088009
H 3.005773 -0.591895 -0.280410
H -2.791590 4.533018 1.392433
H 3.174495 4.423497 -0.246434
H -4.786924 1.185141 -0.532732
H 5.118916 0.584191 0.368408
H -4.795411 3.586471 0.207775
H 5.212156 3.095550 0.387038
H -1.312371 -6.177272 0.525765
H -1.206561 -5.559510 2.230456
H 0.268958 -6.183403 1.375233


