%chk=000282077.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000282077

0 1
Br 2.966103 2.840970 0.277022
O -0.532057 -0.669652 -2.340020
O -0.238041 -2.197608 -0.832209
O -0.284341 3.183823 0.923974
O 0.331541 3.635330 -1.102257
N -0.331482 -1.047090 -1.202596
N 0.398498 3.000844 -0.072018
C 1.167482 0.585144 -0.049770
C 2.292525 -0.376129 -0.001527
C -0.192752 0.021589 -0.160361
C -1.235327 0.380784 0.609463
C -2.600256 -0.153820 0.517290
C 3.341749 -0.278447 -0.929824
C 2.304807 -1.385140 0.974729
C 1.388192 1.908942 0.009255
C -3.280038 -0.202553 -0.710792
C -3.241740 -0.586298 1.691524
C 4.400857 -1.187159 -0.874468
C 3.372144 -2.284736 1.026934
C 4.418942 -2.186966 0.104079
C -4.588828 -0.688927 -0.761864
C -4.545416 -1.081754 1.629080
C -5.220508 -1.132484 0.404111
H -1.093832 1.149215 1.395189
H 3.327267 0.497719 -1.697022
H 1.482491 -1.470640 1.685465
H -2.794844 0.147210 -1.625489
H -2.721296 -0.543963 2.647777
H 5.213648 -1.116495 -1.597048
H 3.384019 -3.067962 1.784589
H 5.248028 -2.893545 0.144779
H -5.115366 -0.724083 -1.716024
H -5.038972 -1.427055 2.537212
H -6.239399 -1.516764 0.359614


%chk=000282077-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000282077

0 1
Br 2.776500 2.840496 1.036066
O 0.906507 -0.093654 -2.648541
O -1.023088 -1.261508 -2.340545
O 0.028905 3.980291 0.528908
O -0.523538 2.668240 -1.255262
N -0.098921 -0.464348 -1.918374
N 0.193241 2.942912 -0.215386
C 1.203758 0.648732 -0.157544
C 2.324925 -0.318913 -0.007708
C -0.124054 0.058000 -0.550076
C -1.163521 0.021066 0.357700
C -2.560905 -0.413630 0.430099
C 3.627323 -0.025322 -0.498561
C 2.078378 -1.594191 0.572466
C 1.295212 1.992402 0.121611
C -3.330058 -1.055941 -0.590154
C -3.208839 -0.126533 1.678305
C 4.659240 -0.977148 -0.389732
C 3.118385 -2.539165 0.693518
C 4.412805 -2.233464 0.214655
C -4.682529 -1.376877 -0.363609
C -4.557136 -0.454767 1.899205
C -5.303518 -1.083277 0.873483
H -0.847580 0.493401 1.301490
H 3.815299 0.928668 -0.998969
H 1.076071 -1.840867 0.939279
H -2.859326 -1.300925 -1.541151
H -2.640269 0.372386 2.473283
H 5.653141 -0.746122 -0.787400
H 2.917939 -3.512160 1.154222
H 5.219234 -2.970003 0.299149
H -5.256880 -1.864337 -1.158621
H -5.027274 -0.220003 2.859701
H -6.355627 -1.341137 1.037290


