%chk=000230684.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000230684

0 1
Br 4.947233 0.776914 0.208614
O -0.059479 -2.332180 -1.253136
O 0.585168 -2.773688 0.762151
N -1.183246 0.337434 0.080387
N 0.464616 -2.033735 -0.193493
C -4.078527 0.560903 -0.185305
C -3.350425 0.886056 1.124684
C -3.262280 -0.443350 -1.008025
C -1.919635 1.385746 0.860369
C -1.833513 0.065864 -1.247058
C 0.237871 0.483244 0.038581
C 1.048471 -0.671773 -0.073568
C 0.890575 1.727683 0.219272
C 2.448722 -0.592546 -0.017657
C 2.276147 1.814109 0.271680
C 3.050361 0.650987 0.146323
H -5.081334 0.146729 0.031552
H -4.249053 1.485147 -0.768959
H -3.906606 1.648479 1.700258
H -3.311525 -0.021150 1.762794
H -3.222444 -1.418831 -0.479779
H -3.750739 -0.640366 -1.980491
H -1.949566 2.363071 0.331858
H -1.394375 1.539932 1.828728
H -1.244369 -0.704003 -1.799126
H -1.848499 0.979793 -1.879711
H 0.299219 2.639707 0.303626
H 3.052559 -1.503653 -0.093201
H 2.758873 2.786475 0.404234


%chk=000230684-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000230684

0 1
Br 5.038291 0.671882 0.352772
O -0.742309 -2.252452 -0.007111
O 1.290388 -2.938139 -0.768023
N -1.171397 0.579083 -0.080903
N 0.487423 -2.010069 -0.344108
C -4.109900 0.467279 -0.200378
C -3.359264 1.059027 1.012019
C -3.233325 -0.601819 -0.890485
C -1.973183 1.617162 0.611372
C -1.860429 -0.009291 -1.260957
C 0.209566 0.516314 0.087301
C 1.027916 -0.649506 -0.168722
C 0.925126 1.686732 0.520362
C 2.447975 -0.588280 -0.117899
C 2.320433 1.734025 0.615256
C 3.083329 0.592297 0.266621
H -5.071965 0.029024 0.123158
H -4.349934 1.276568 -0.921637
H -3.943818 1.875250 1.478161
H -3.215226 0.271490 1.776161
H -3.074915 -1.463221 -0.218749
H -3.722768 -0.973795 -1.810260
H -2.106212 2.507749 -0.045763
H -1.441386 1.938051 1.522099
H -1.222569 -0.767702 -1.732192
H -2.004887 0.811777 -2.001917
H 0.367093 2.604166 0.722207
H 3.004425 -1.500202 -0.345745
H 2.815723 2.659599 0.922961


