%chk=000216287.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216287

0 1
Br -0.238140 0.275283 -2.239925
O 1.421198 0.726702 1.388311
N 2.078622 1.095984 -0.741099
C 0.025446 -0.270177 -0.323154
C -1.248088 0.052488 0.492186
C 0.412090 -1.756168 -0.332559
C -2.458230 -0.752672 0.016791
C -1.564871 1.550178 0.494720
C 1.214139 0.556200 0.196646
C 0.661820 -2.311019 1.067015
H -1.010236 -0.246869 1.553170
H -0.387209 -2.347729 -0.829130
H 1.319472 -1.906490 -0.955339
H -2.769504 -0.471562 -0.997393
H -2.263213 -1.830634 0.015007
H -3.320509 -0.579627 0.672129
H -2.420127 1.764117 1.147143
H -0.723747 2.144828 0.874304
H -1.822294 1.930037 -0.500658
H 1.125046 -3.303200 1.019122
H 1.333022 -1.664291 1.654238
H -0.266547 -2.409444 1.642148
H 2.028489 0.972916 -1.738837
H 2.869471 1.632847 -0.407837


%chk=000216287-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216287

0 1
Br -0.296081 0.227128 -2.365044
O 1.430620 0.659907 1.463893
N 2.146842 1.134513 -0.687873
C 0.055365 -0.240388 -0.327376
C -1.234248 0.095852 0.473717
C 0.441908 -1.751173 -0.352506
C -2.445710 -0.785899 0.100224
C -1.608075 1.596238 0.428072
C 1.261328 0.585529 0.206039
C 0.628680 -2.382430 1.050249
H -0.940774 -0.129673 1.520373
H -0.340980 -2.298427 -0.906029
H 1.375604 -1.860348 -0.935026
H -2.752401 -0.614366 -0.947207
H -2.243308 -1.863708 0.229157
H -3.301201 -0.527932 0.750355
H -2.440933 1.792043 1.127402
H -0.760647 2.235999 0.730535
H -1.933468 1.895488 -0.584077
H 0.982937 -3.422725 0.934886
H 1.363968 -1.824757 1.653094
H -0.320267 -2.410868 1.614284
H 1.963112 1.121181 -1.691815
H 2.963829 1.620517 -0.318329


