%chk=000253760.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253760

0 1
Br 4.819660 0.826876 -0.309600
N -0.467430 0.061939 -0.192414
N -1.214819 2.488855 -0.182604
C -1.572554 -0.983104 -0.114458
C 0.763927 -0.180047 0.629067
C -2.708820 -0.541792 -1.049402
C -0.975459 -2.309548 -0.610842
C -2.093815 -1.125078 1.325533
C 1.978016 0.413649 -0.109405
C 3.257633 0.116196 0.653705
C -0.892836 1.373415 -0.134970
H 0.676729 0.252109 1.649712
H 0.893971 -1.279539 0.752241
H -2.333922 -0.293707 -2.051898
H -3.453045 -1.336718 -1.168713
H -3.242667 0.342238 -0.678679
H -0.179376 -2.683494 0.042913
H -0.545481 -2.198596 -1.615799
H -1.744938 -3.087454 -0.667149
H -2.468793 -0.172450 1.719100
H -2.927073 -1.836397 1.372497
H -1.326975 -1.487070 2.016409
H 2.024016 0.003753 -1.141897
H 1.847659 1.509304 -0.245714
H 3.266886 0.586653 1.652481
H 3.433010 -0.966593 0.773687


%chk=000253760-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000253760

0 1
Br 4.805409 0.148433 -0.605384
N -0.615223 0.239290 0.156797
N -1.247432 2.613757 -0.523775
C -1.554776 -0.933796 -0.063313
C 0.684312 0.069090 0.856677
C -2.732523 -0.464290 -0.948509
C -0.789998 -2.074021 -0.783733
C -2.094487 -1.417393 1.309807
C 1.896270 0.165687 -0.111410
C 3.214932 0.055993 0.657339
C -0.961066 1.487083 -0.207043
H 0.774019 0.841822 1.645271
H 0.675477 -0.911552 1.364385
H -2.378405 -0.096385 -1.927397
H -3.412842 -1.315746 -1.123423
H -3.308571 0.342989 -0.463943
H 0.066223 -2.440929 -0.189590
H -0.416468 -1.733886 -1.765439
H -1.469244 -2.929867 -0.947119
H -2.642453 -0.604152 1.817047
H -2.784989 -2.268551 1.168281
H -1.280960 -1.757236 1.976572
H 1.829267 -0.635095 -0.868346
H 1.854030 1.130861 -0.647962
H 3.370627 0.889472 1.360457
H 3.332376 -0.908180 1.177554


