%chk=000247645.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000247645

0 1
Br -4.868540 -0.391693 0.214452
O 2.041692 0.807992 1.549733
O 2.975946 2.223592 -1.204300
O 2.832232 -1.208818 -1.269594
O 2.037956 -2.659272 0.490800
N 0.014957 1.351174 0.470460
N -2.179015 1.678464 1.131998
N -0.326269 -0.735399 -0.882226
N -2.716228 -1.432835 -0.900159
N -1.057235 -2.628394 -2.100855
C 2.165848 1.104347 -0.834766
C 1.474277 1.564346 0.471330
C 3.066601 -0.100146 -0.433699
C 2.778054 -0.352893 1.070728
C 1.940006 -1.590191 1.437040
C -0.727040 0.304354 -0.092340
C -0.937722 2.142971 1.226743
C -2.099802 0.533919 0.321270
C -3.045746 -0.394677 -0.136312
C -1.358762 -1.578423 -1.262789
H 1.472679 0.842090 -1.663774
H 1.694306 2.633538 0.729843
H 4.142549 0.135972 -0.611447
H 3.713585 -0.308177 1.672632
H 0.855530 -1.353057 1.440753
H 2.222883 -1.977262 2.433537
H 3.255733 2.143198 -2.143226
H 1.892263 -1.560217 -1.138673
H -0.613006 3.013406 1.782887
H 2.981415 -2.852036 0.278301
H -0.093449 -2.887253 -2.252927
H -1.763397 -3.329620 -2.283023


%chk=000247645-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000247645

0 1
Br -5.063066 0.052515 -0.525576
O 1.554621 0.182848 1.381818
O 3.348664 2.357856 -0.164363
O 2.008715 -0.834000 -1.590631
O 1.962924 -2.863619 0.043284
N -0.129934 1.447184 0.267623
N -2.356809 2.029236 0.443992
N -0.394316 -0.822497 -0.640727
N -2.718889 -1.530368 -0.773133
N -0.927983 -3.076265 -0.935314
C 2.300513 1.414656 -0.577747
C 1.303920 1.411848 0.618927
C 2.821906 -0.050001 -0.668416
C 2.744411 -0.531506 0.810130
C 2.639100 -2.055984 1.071344
C -0.863862 0.363786 -0.199444
C -1.093757 2.415991 0.658172
C -2.241983 0.725480 -0.082099
C -3.143956 -0.299933 -0.462430
C -1.359457 -1.790524 -0.793263
H 1.825314 1.713267 -1.531043
H 1.508574 2.302744 1.240447
H 3.855793 -0.082192 -1.053693
H 3.631617 -0.150024 1.356612
H 2.091290 -2.210922 2.016406
H 3.672514 -2.441138 1.201631
H 4.009629 2.458193 -0.894243
H 1.003138 -0.855420 -1.224454
H -0.797811 3.371294 1.087091
H 2.159759 -2.412177 -0.839214
H 0.036916 -3.290708 -0.640749
H -1.615194 -3.810617 -1.088542


