%chk=000267069.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267069

0 1
Br -5.308475 2.702349 1.318880
Br -4.536402 -0.214609 0.683751
O 3.433637 1.233548 -0.764280
O 3.862859 -3.271763 -0.167418
N 2.106822 0.983198 1.120125
N 2.561875 -1.633438 -1.189147
N 1.047707 1.625694 0.534235
N 1.372185 -2.163769 -0.765365
C 5.449305 -0.559186 0.201491
C 4.323761 -0.037336 1.106061
C 4.972404 -1.309748 -1.050213
C 3.300425 0.791726 0.353359
C 3.790390 -2.212345 -0.738414
C -1.194497 2.479516 0.586129
C -1.018223 -2.045518 -0.583498
C -0.051653 1.791075 1.220295
C 0.272601 -1.538375 -1.089068
C -2.469821 2.320980 1.161071
C -2.011012 -1.099093 -0.273955
C -1.039703 3.277637 -0.559890
C -1.272439 -3.413802 -0.401124
C -3.559458 2.952716 0.564467
C -3.236189 -1.542023 0.221276
C -2.148407 3.908039 -1.130377
C -2.515343 -3.832408 0.082704
C -3.422177 3.749013 -0.573796
C -3.509131 -2.898897 0.399712
H 6.098039 -1.228029 0.806760
H 6.087385 0.290216 -0.123253
H 3.838578 -0.902713 1.613037
H 4.768087 0.574803 1.920863
H 5.798037 -1.937852 -1.448784
H 4.745787 -0.574181 -1.853757
H 2.029506 0.586944 2.065481
H 2.587113 -0.749015 -1.729470
H -0.227659 1.452415 2.253332
H 0.203051 -0.618704 -1.693893
H -2.602682 1.703599 2.051997
H -1.817923 -0.033265 -0.414867
H -0.048332 3.400453 -1.005185
H -0.493401 -4.144055 -0.630943
H -2.021995 4.526964 -2.019346
H -2.712170 -4.895983 0.218550
H -4.285859 4.236481 -1.027418
H -4.475003 -3.230260 0.779984


%chk=000267069-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000267069

0 1
Br -5.110051 2.950992 2.057593
Br -5.087099 -0.569573 -1.086328
O 3.640551 1.416083 -0.835709
O 3.826651 -3.215037 0.125897
N 2.273390 1.042787 1.031897
N 2.525614 -1.639217 -1.044271
N 1.182700 1.693473 0.484204
N 1.311973 -2.168315 -0.648993
C 5.577291 -0.558902 0.135070
C 4.550244 0.130303 1.069653
C 4.957044 -1.366910 -1.046046
C 3.480398 0.928926 0.316701
C 3.746900 -2.192360 -0.602753
C -1.127824 2.393873 0.674916
C -1.104805 -1.994897 -0.626692
C 0.075594 1.731856 1.195988
C 0.228380 -1.508531 -1.006479
C -2.315789 2.366058 1.456709
C -2.241077 -1.208691 -0.967437
C -1.133064 3.056503 -0.585877
C -1.285674 -3.222704 0.072400
C -3.477204 2.993138 0.969275
C -3.524042 -1.661365 -0.608497
C -2.309181 3.673297 -1.050359
C -2.580282 -3.649878 0.419889
C -3.498469 3.648691 -0.278046
C -3.718981 -2.873868 0.083008
H 6.187532 -1.236822 0.758743
H 6.253546 0.200440 -0.296025
H 4.065863 -0.630485 1.713232
H 5.092548 0.820852 1.746202
H 5.717646 -2.066960 -1.433472
H 4.687396 -0.667779 -1.856406
H 2.201922 0.583358 1.953519
H 2.559985 -0.765300 -1.594858
H -0.003209 1.266747 2.199876
H 0.271331 -0.567316 -1.590842
H -2.327403 1.856911 2.426333
H -2.115501 -0.259837 -1.500206
H -0.208712 3.080113 -1.171019
H -0.401991 -3.816950 0.323887
H -2.314928 4.184425 -2.018878
H -2.720835 -4.595307 0.954582
H -4.411813 4.127594 -0.641529
H -4.724967 -3.208414 0.351246


