%chk=000288258.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288258

0 1
Br 1.889893 2.370470 -0.060124
O 1.851027 -0.393580 1.346917
O 1.947695 -0.614816 -1.000589
N -0.259900 2.658847 0.061968
N -3.932118 0.891999 1.840859
N -3.518030 0.941537 -2.301264
N -2.832345 -2.675193 -0.123280
C 2.785159 -0.355713 0.193774
C -1.643238 0.513178 0.625498
C -1.840055 -0.319194 -0.724374
C -0.653315 -0.240065 1.584783
C -0.497631 -0.523660 -1.502009
C 0.575441 -0.471041 0.797090
C 0.630961 -0.590127 -0.552811
C 3.374236 1.063653 0.109157
C 3.797861 -1.484560 0.339973
C 4.329711 1.223105 -1.053364
C 3.129860 -2.834442 0.572209
C -0.992156 1.791750 0.298059
C -2.929075 0.726143 1.297595
C -2.786963 0.388074 -1.602946
C -2.405461 -1.636637 -0.383770
H -1.097484 -1.190421 1.952470
H -0.442581 0.366709 2.494835
H -0.323111 0.318179 -2.217333
H -0.550128 -1.435866 -2.138868
H 3.863603 1.311940 1.079010
H 4.485857 -1.253539 1.179825
H 4.422301 -1.528252 -0.578327
H 5.231773 0.609210 -0.932756
H 3.856511 0.939616 -2.006807
H 4.665766 2.264871 -1.163305
H 2.509354 -2.819850 1.479205
H 2.474782 -3.103885 -0.267205
H 3.872499 -3.631741 0.686905


%chk=000288258-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288258

0 1
Br 2.586085 2.658636 0.007604
O 1.893845 -0.183586 1.326145
O 1.984162 -0.361728 -1.069666
N -1.451518 3.063770 -0.084052
N -4.094829 0.247018 1.973113
N -3.918588 0.224440 -2.228462
N -1.967665 -2.976181 0.021538
C 2.849961 -0.286949 0.164098
C -1.792248 0.511761 0.641601
C -1.813397 -0.406473 -0.707480
C -0.614497 0.059052 1.587175
C -0.499933 -0.164173 -1.544156
C 0.602233 -0.123891 0.746098
C 0.652630 -0.223591 -0.601334
C 3.737738 0.975954 0.129439
C 3.659561 -1.591042 0.284860
C 4.754273 1.000075 -1.017306
C 2.782044 -2.839644 0.500215
C -1.612003 1.927957 0.237435
C -3.078477 0.370819 1.364547
C -2.991602 -0.059283 -1.536487
C -1.904863 -1.830665 -0.300806
H -0.906038 -0.870904 2.111911
H -0.457606 0.838150 2.355116
H -0.566003 0.817122 -2.052704
H -0.430167 -0.939669 -2.328481
H 4.216974 1.082490 1.117372
H 4.375519 -1.477768 1.122044
H 4.250585 -1.703900 -0.642053
H 5.496567 0.189095 -0.894237
H 4.248429 0.875927 -1.989163
H 5.298789 1.957603 -1.023144
H 2.206046 -2.764685 1.437377
H 2.076252 -2.979205 -0.336584
H 3.418437 -3.739832 0.559423


