%chk=000106081.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000106081

0 1
Br -3.415023 0.003287 3.260980
Br -1.646795 -0.256922 -1.885655
O -7.836218 0.161042 0.043850
O -7.163265 0.099579 -2.011846
N 4.777450 0.522684 0.894964
N -0.735489 -0.532254 0.228034
N -1.592251 0.089947 0.935004
N 7.724294 -1.433839 -2.460798
N -6.965146 0.104695 -0.807917
C 3.405816 0.302541 0.688539
C 5.775856 -0.320182 0.195554
C 5.267619 1.866275 1.314688
C 2.949303 -0.892762 0.080818
C 1.587870 -1.167365 -0.048088
C 2.446297 1.238157 1.167292
C 5.892641 0.016081 -1.308772
C 0.637957 -0.217501 0.424934
C 5.236186 2.908330 0.198997
C 1.096471 0.971024 1.042255
C 1.146355 -2.449156 -0.666581
C 6.911775 -0.791757 -1.948314
C -2.938621 -0.072044 0.525660
C -3.978347 -0.010753 1.465439
C -3.233635 -0.103328 -0.859773
C -5.563091 0.038138 -0.348226
C -5.299723 0.043538 1.035645
C -4.536142 -0.035201 -1.314963
H 5.501935 -1.395018 0.327017
H 6.764341 -0.190163 0.693744
H 4.650745 2.207791 2.180566
H 6.304598 1.748743 1.704772
H 3.664582 -1.633387 -0.271559
H 2.766075 2.159869 1.648338
H 4.908131 -0.133672 -1.815672
H 6.123913 1.105503 -1.438956
H 5.858225 2.611142 -0.658226
H 4.218774 3.072257 -0.180739
H 5.609701 3.876921 0.553869
H 0.360054 1.689796 1.419253
H 1.975385 -3.117287 -0.928381
H 0.475880 -3.005406 0.011073
H 0.558830 -2.273216 -1.581980
H -6.131932 0.092556 1.751480
H -4.784284 -0.046079 -2.383719


%chk=000106081-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106081

0 1
Br -3.197481 0.510757 3.111139
Br -2.312702 -0.400406 -2.633795
O -7.969893 0.121348 0.557661
O -7.594734 -0.266630 -1.663802
N 4.813254 0.620071 0.781010
N -0.683430 -0.570619 0.066530
N -1.568517 0.275193 0.536108
N 7.861727 -1.889601 -2.171442
N -7.184362 -0.058193 -0.454610
C 3.453948 0.353629 0.598242
C 5.839976 -0.293911 0.257537
C 5.272825 1.873166 1.431256
C 3.006702 -0.861278 -0.021454
C 1.644853 -1.165678 -0.185859
C 2.450530 1.286229 1.040248
C 6.061736 -0.136769 -1.285914
C 0.666287 -0.218557 0.269862
C 5.314822 3.102513 0.493466
C 1.097755 0.998734 0.879562
C 1.220452 -2.470052 -0.829564
C 7.052411 -1.099114 -1.791445
C -2.925907 0.054139 0.239411
C -3.873398 0.241584 1.298286
C -3.468849 -0.179423 -1.067768
C -5.729189 -0.022250 -0.214044
C -5.256355 0.199444 1.099244
C -4.851178 -0.209756 -1.303032
H 5.577287 -1.342643 0.484081
H 6.791441 -0.086280 0.775168
H 4.626451 2.081122 2.302981
H 6.282905 1.684231 1.836789
H 3.731562 -1.601185 -0.372494
H 2.736868 2.232676 1.504559
H 5.104891 -0.284518 -1.819592
H 6.405270 0.888813 -1.512912
H 6.042316 2.960790 -0.325235
H 4.326884 3.298815 0.042592
H 5.618424 4.000378 1.061880
H 0.332084 1.703412 1.219933
H 2.094365 -3.042535 -1.184108
H 0.656872 -3.096457 -0.115232
H 0.539752 -2.289849 -1.679421
H -5.968041 0.327660 1.917492
H -5.263518 -0.376396 -2.300710


