%chk=000299623.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299623

0 1
Br 2.779804 -0.798530 1.427399
Br 5.910357 -2.105201 0.651340
O -0.033213 1.363748 0.618205
O 0.743266 0.598462 -1.424340
N 2.148825 1.589612 0.162735
C -1.728679 -2.662992 0.478270
C -2.952422 -2.760761 -0.438723
C -0.986754 -1.342089 0.246781
C -3.946602 -1.633020 -0.133425
C -1.902739 -0.156707 0.174028
C -3.291731 -0.282270 -0.032316
C -1.389507 1.146349 0.281107
C -4.095629 0.867123 -0.118404
C -2.169113 2.301313 0.190244
C -3.542599 2.145163 -0.007720
C 0.940930 1.102262 -0.344244
C 3.407843 1.190127 -0.487295
C 3.982986 -0.049967 0.155868
C 5.177063 -0.554122 -0.136335
H -1.044871 -3.513441 0.298081
H -2.043341 -2.738926 1.537082
H -3.446416 -3.742399 -0.319945
H -2.632222 -2.701247 -1.498025
H -0.408887 -1.390609 -0.707762
H -0.231595 -1.188562 1.045145
H -4.467976 -1.842635 0.825781
H -4.738249 -1.618124 -0.910117
H -5.167713 0.762240 -0.276930
H -1.710223 3.282387 0.278435
H -4.182051 3.023694 -0.080099
H 2.191021 1.942570 1.120520
H 3.221823 0.997071 -1.578921
H 4.128461 2.040994 -0.419487
H 5.850650 -0.109615 -0.872233


%chk=000299623-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000299623

0 1
Br 3.465403 -1.930544 0.251617
Br 6.851143 -1.149925 1.078855
O 0.002802 1.295966 0.555495
O 0.657506 0.580192 -1.613386
N 2.206050 1.152874 0.060862
C -1.934967 -2.664381 0.594232
C -3.148839 -2.741407 -0.356445
C -1.115637 -1.385618 0.315949
C -4.104197 -1.559171 -0.087667
C -1.980956 -0.136891 0.195708
C -3.389342 -0.211468 -0.007355
C -1.400694 1.153713 0.270415
C -4.147304 0.981871 -0.116392
C -2.143979 2.341604 0.173711
C -3.539250 2.250640 -0.022814
C 0.939356 0.965131 -0.456024
C 3.401642 0.839544 -0.719876
C 4.300645 -0.193878 -0.054770
C 5.585470 0.073215 0.280899
H -1.284899 -3.551000 0.471342
H -2.293830 -2.666656 1.643344
H -3.689561 -3.697546 -0.225209
H -2.791485 -2.707188 -1.404897
H -0.553211 -1.510197 -0.631657
H -0.353136 -1.234441 1.104585
H -4.634191 -1.738312 0.871584
H -4.888857 -1.511070 -0.867050
H -5.230298 0.909523 -0.276298
H -1.633010 3.305977 0.250087
H -4.140819 3.161738 -0.107575
H 2.288071 1.459241 1.031133
H 3.048530 0.465424 -1.698427
H 4.001610 1.752793 -0.904414
H 6.020730 1.062146 0.105139


