%chk=000209973.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209973

0 1
Br 4.482578 -0.257569 -1.964715
O -0.979277 -0.265966 0.633987
O 1.516525 -3.405468 1.201277
N -2.541522 1.805512 -1.766618
C -2.650583 0.540797 -0.970668
C -1.976068 0.770671 0.388477
C 0.240402 -0.204219 0.007428
C 1.116473 -1.270852 0.305948
C 0.806893 -2.420037 1.214303
C -3.697525 2.709240 -1.490895
C -2.441113 1.513578 -3.226626
C -0.389830 -2.289872 2.126021
C 0.614129 0.831814 -0.869213
C 2.384638 -1.271323 -0.303668
C 1.877294 0.815320 -1.449304
C 2.755564 -0.239260 -1.161576
C -0.451643 -3.405610 3.159087
H -2.125476 -0.292505 -1.493340
H -3.695071 0.191438 -0.833005
H -2.655085 0.588186 1.241781
H -1.508656 1.767613 0.482321
H -3.744021 2.925969 -0.412434
H -4.676581 2.321089 -1.808448
H -3.526677 3.669491 -2.005697
H -2.316560 2.462652 -3.773826
H -3.302819 0.981920 -3.655550
H -1.533256 0.915390 -3.412563
H -0.379601 -1.295582 2.622608
H -1.312716 -2.282849 1.501895
H -0.081311 1.642700 -1.103045
H 3.067338 -2.105802 -0.087699
H 2.177623 1.619532 -2.125469
H 0.398407 -3.357795 3.851935
H -1.372537 -3.357101 3.748181
H -0.403536 -4.393802 2.679111


%chk=000209973-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000209973

0 1
Br 4.494237 -0.055041 -1.931761
O -1.123559 -0.315197 0.641954
O 1.967831 -3.023591 1.747470
N -2.494879 1.768491 -1.913086
C -2.789325 0.609573 -1.032784
C -2.125685 0.741267 0.363481
C 0.139204 -0.240812 0.035302
C 1.134203 -1.185112 0.449327
C 0.972584 -2.283306 1.481697
C -3.267558 2.973747 -1.537248
C -2.643776 1.442303 -3.349579
C -0.360154 -2.507295 2.191419
C 0.435771 0.731088 -0.957281
C 2.420914 -1.104000 -0.155477
C 1.718372 0.788477 -1.536487
C 2.703215 -0.133787 -1.123357
C -0.326348 -3.683873 3.180123
H -2.396899 -0.305049 -1.512811
H -3.890068 0.459088 -0.911727
H -2.856222 0.593005 1.174662
H -1.651647 1.735487 0.474373
H -3.086930 3.231888 -0.478829
H -4.369867 2.843497 -1.676894
H -2.941161 3.830795 -2.151730
H -2.353460 2.317616 -3.957025
H -3.686787 1.157894 -3.632861
H -1.972436 0.605628 -3.611966
H -0.646467 -1.562680 2.694458
H -1.145594 -2.646386 1.422658
H -0.344250 1.421984 -1.307840
H 3.168051 -1.831198 0.177389
H 1.939486 1.538655 -2.301568
H 0.438435 -3.526547 3.959948
H -1.310423 -3.801898 3.669039
H -0.072407 -4.627410 2.667009


