%chk=000260322.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000260322

0 1
Br -2.292588 2.818468 0.723040
Br -3.871492 -2.499009 0.268622
O -4.768975 -0.090060 -1.553296
O 5.815231 1.906283 0.042671
N -4.101046 0.463853 0.575164
N 5.544265 -0.370315 -0.267167
C 0.850011 1.478792 0.332118
C -0.406391 0.648393 0.322894
C 1.936133 0.450427 0.118325
C -0.090878 -0.739407 0.121061
C 1.364569 -0.854437 -0.006053
C -1.721328 1.035925 0.465925
C 3.301363 0.648328 0.039341
C -1.086304 -1.706277 0.077197
C 2.180611 -1.958689 -0.213718
C -2.742888 0.059553 0.414617
C 4.121483 -0.483343 -0.171169
C -2.415377 -1.288459 0.239601
C 3.566400 -1.773418 -0.296506
C -5.061630 0.343446 -0.461293
C 6.304983 0.815293 -0.156395
C -6.433401 0.804918 -0.058469
H 0.976659 2.032238 1.284950
H 0.841047 2.249077 -0.467427
H 3.739314 1.647366 0.135098
H -0.848071 -2.758887 -0.075853
H 1.755944 -2.956742 -0.312590
H 4.204578 -2.638240 -0.459531
H -4.330644 0.943640 1.446468
H 6.044206 -1.246824 -0.433867
H 7.388486 0.636678 -0.270034
H -6.828926 0.242774 0.798090
H -7.136263 0.653070 -0.895115
H -6.460181 1.873486 0.191502


%chk=000260322-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000260322

0 1
Br -2.200718 2.927255 0.705441
Br -3.792239 -2.702164 0.394174
O -4.868603 -0.219311 -1.564765
O 5.982633 1.954334 -0.008203
N -4.168870 0.472414 0.558645
N 5.578571 -0.360969 -0.281038
C 0.848555 1.504720 0.338897
C -0.414551 0.660444 0.337029
C 1.945049 0.468831 0.122365
C -0.089032 -0.718064 0.142498
C 1.371578 -0.833215 0.008537
C -1.756050 1.028883 0.469727
C 3.329577 0.672714 0.032727
C -1.096932 -1.702724 0.117931
C 2.201034 -1.956558 -0.200617
C -2.810827 0.067021 0.431969
C 4.161143 -0.464233 -0.176616
C -2.436870 -1.300706 0.285700
C 3.592553 -1.765884 -0.291961
C -5.132101 0.316928 -0.456603
C 6.379564 0.773279 -0.197600
C -6.522411 0.815919 -0.076976
H 0.974002 2.055813 1.291147
H 0.832355 2.270166 -0.461079
H 3.781623 1.662921 0.117241
H -0.856582 -2.761750 -0.006265
H 1.781388 -2.963720 -0.294163
H 4.249278 -2.630014 -0.455108
H -4.408950 1.071765 1.351845
H 6.076738 -1.241539 -0.438625
H 7.456259 0.514497 -0.321432
H -7.113425 -0.029513 0.321129
H -7.027884 1.184800 -0.982543
H -6.506957 1.615561 0.684792


