%chk=000258816.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258816

0 1
Br -1.618103 -0.841567 -1.982012
Br 1.617875 -0.829728 1.987457
O -1.206168 0.206220 1.872693
O 1.205480 0.196384 -1.872926
N -0.690760 1.214727 -0.127325
N 0.689530 1.215688 0.121455
C -2.946615 0.365292 0.222087
C 2.945842 0.365700 -0.223200
C -1.557722 0.536048 0.756605
C 1.556880 0.532677 -0.758717
C -3.154626 -0.294918 -0.998166
C 3.154139 -0.287693 1.000661
C -4.046344 0.794879 0.971856
C 4.045393 0.791798 -0.975244
C -4.440067 -0.531510 -1.478065
C 4.439694 -0.520956 1.481920
C -5.342094 0.570800 0.491201
C 5.341223 0.571075 -0.493295
C -5.537000 -0.090262 -0.724401
C 5.536419 -0.083246 0.725921
H -3.887716 1.293118 1.931086
H 3.886533 1.284678 -1.937203
H -0.935282 1.462730 -1.096185
H 0.933952 1.469455 1.088837
H -4.596298 -1.052286 -2.424074
H 4.596134 -1.036474 2.430772
H -6.200165 0.908072 1.072901
H 6.199161 0.905635 -1.076756
H -6.548271 -0.268860 -1.092606
H 6.547776 -0.259277 1.095125


%chk=000258816-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258816

0 1
Br -2.333492 0.274180 -2.946065
Br 2.331839 0.292006 2.944803
O -1.527252 0.291246 1.813638
O 1.526782 0.282608 -1.814757
N -0.633137 0.285228 -0.293014
N 0.632548 0.287175 0.291885
C -3.118568 0.285338 -0.030604
C 3.117913 0.287410 0.029701
C -1.723958 0.287438 0.547486
C 1.723395 0.285557 -0.548587
C -3.552438 0.280194 -1.386454
C 3.551387 0.290009 1.385662
C -4.140585 0.288994 0.965707
C 4.140201 0.286096 -0.966340
C -4.923007 0.278854 -1.727506
C 4.921851 0.291221 1.727133
C -5.507414 0.287843 0.641935
C 5.506938 0.287349 -0.642164
C -5.904457 0.282715 -0.713989
C 5.903592 0.289905 0.713887
H -3.796792 0.292830 2.005197
H 3.796702 0.284028 -2.005931
H -0.628893 0.282424 -1.322548
H 0.628301 0.289903 1.321420
H -5.219119 0.274769 -2.780285
H 5.217652 0.293158 2.780005
H -6.256863 0.290894 1.439595
H 6.256619 0.286311 -1.439612
H -6.964148 0.281651 -0.989662
H 6.963204 0.290864 0.989866


