%chk=000221811.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000221811

0 1
Br 6.222930 1.814018 0.182442
O 0.862718 -0.995260 -0.089048
O -2.363050 -3.312149 0.023376
O -0.207381 -3.132149 -0.077880
O -4.301830 2.568621 -0.259788
O -5.189407 0.593923 -0.197253
N -1.329665 -2.668666 -0.045711
N -4.236509 1.351607 -0.216394
C -0.330910 -0.348603 -0.117589
C -1.466919 -1.201960 -0.097019
C -2.890161 0.751987 -0.184188
C -2.750958 -0.637142 -0.128413
C -0.486662 1.054037 -0.179595
C -1.756881 1.599809 -0.213722
C 2.062183 -0.235913 -0.026852
C 2.395790 0.463487 1.135688
C 2.914285 -0.358254 -1.127131
C 3.651181 1.075172 1.192078
C 4.167801 0.256048 -1.054445
C 4.518486 0.968650 0.098142
H -3.641029 -1.293475 -0.108437
H 0.391791 1.701972 -0.211135
H -1.905631 2.688219 -0.264535
H 1.707000 0.513087 1.978464
H 2.610301 -0.933250 -2.003123
H 3.947837 1.625905 2.088635
H 4.862289 0.174780 -1.895066


%chk=000221811-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000221811

0 1
Br 6.304364 1.901737 0.393721
O 0.901213 -1.010177 -0.257960
O -2.338846 -3.285234 0.650273
O -0.484375 -3.287199 -0.683227
O -4.343038 2.650825 -0.203395
O -5.275448 0.573984 -0.013420
N -1.423102 -2.688270 -0.040262
N -4.261685 1.363929 -0.124264
C -0.337437 -0.388518 -0.236434
C -1.502384 -1.207594 -0.115330
C -2.911481 0.758578 -0.163989
C -2.785868 -0.637206 -0.058907
C -0.503019 1.019589 -0.333457
C -1.780890 1.594965 -0.307987
C 2.106242 -0.250642 -0.108312
C 2.373333 0.460446 1.080463
C 3.057358 -0.359250 -1.139978
C 3.622463 1.102730 1.227279
C 4.307888 0.281458 -0.991615
C 4.573609 1.010251 0.187545
H -3.667589 -1.271612 0.063465
H 0.380065 1.655079 -0.438959
H -1.921880 2.675218 -0.396549
H 1.634050 0.501296 1.886437
H 2.824290 -0.944002 -2.033908
H 3.850482 1.655591 2.142542
H 5.059283 0.208529 -1.782269


