%chk=000250831.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000250831

0 1
Br -3.492462 -1.397696 1.414799
O 4.971971 0.450885 -1.373567
O 5.112927 0.387941 0.783663
N 4.484027 0.332731 -0.261181
N -1.988918 0.265849 -0.491955
N -3.316574 -0.058585 -0.449752
N -5.561527 0.494808 -0.314477
N -4.047346 2.302024 -0.790128
C 0.283703 -0.331741 -0.001815
C 0.891575 -0.181732 -1.259843
C 1.053368 -0.252466 1.171785
C -1.175989 -0.580051 0.085439
C 3.025682 0.104977 -0.171892
C 2.265422 0.036308 -1.349755
C 2.427063 -0.033510 1.090578
C -1.643866 -1.787077 0.842786
C -4.228066 0.918070 -0.565746
H 0.281413 -0.226555 -2.165538
H 0.575844 -0.346138 2.148138
H 2.755338 0.155074 -2.322850
H 3.042329 0.033640 1.994871
H -1.052903 -2.014898 1.743303
H -1.679352 -2.684777 0.197305
H -5.706630 -0.512656 -0.379601
H -6.287124 1.003442 -0.807710
H -3.082165 2.622712 -0.788260
H -4.667738 2.943819 -0.312795


%chk=000250831-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000250831

0 1
Br -1.930539 -1.187209 3.181523
O 4.744801 1.282554 -1.253578
O 5.214489 -0.058339 0.534410
N 4.384173 0.495942 -0.289799
N -2.113889 0.163986 -0.325243
N -3.462743 -0.130592 -0.168193
N -5.592507 0.566794 -0.773650
N -3.727116 1.840350 -1.518555
C 0.187510 -0.325260 0.189466
C 0.653702 0.533700 -0.853001
C 1.151045 -0.899895 1.071522
C -1.254580 -0.616013 0.342549
C 2.945720 0.216729 -0.123104
C 2.018547 0.807012 -1.015615
C 2.522995 -0.634033 0.921996
C -1.722312 -1.749894 1.198157
C -4.236603 0.772325 -0.832077
H -0.080532 0.964960 -1.538295
H 0.824930 -1.532534 1.902442
H 2.386643 1.455330 -1.815094
H 3.267692 -1.062414 1.597754
H -1.024961 -2.596660 1.240070
H -2.741102 -2.053747 0.926260
H -5.910712 -0.232523 -0.229361
H -6.269080 1.192782 -1.199814
H -2.705608 1.903449 -1.495004
H -4.289962 2.527597 -2.009964


