%chk=000266635.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000266635

0 1
Br -7.055065 -0.362961 -0.212135
Br 4.256237 -2.561901 2.704888
O -1.615579 1.228641 -1.797225
N -1.153754 -0.900761 1.061353
N 1.389551 -1.943070 -2.587056
N 1.087972 2.505708 2.260508
C -0.485872 -0.030993 0.016802
C 0.435094 -0.854942 -0.822696
C 0.217254 1.105597 0.683857
C -1.710237 0.524159 -0.828311
C -2.917281 -0.054336 -0.214343
C -2.535686 -0.945955 0.831324
C 1.614052 -1.535682 -0.342142
C 0.946851 2.148744 -0.000521
C 0.332187 -1.110910 -2.184535
C 0.313185 1.351458 2.047466
C 2.192236 -2.218380 -1.466697
C 1.488807 3.011144 1.009727
C -4.258403 0.135617 -0.533702
C -3.500158 -1.685035 1.538466
C 2.240206 -1.625780 0.915710
C 1.183016 2.449777 -1.355648
C 3.360332 -2.998992 -1.346775
C 2.270000 4.140046 0.690367
C -5.207033 -0.590782 0.191026
C -4.839302 -1.489413 1.208576
C 3.381823 -2.399295 1.009273
C 1.949463 3.559358 -1.665913
C 3.946223 -3.084740 -0.096797
C 2.490482 4.393484 -0.651807
H -0.651386 -1.722994 1.378777
H -0.406174 -0.749353 -2.886873
H -0.116340 0.799110 2.866855
H 1.558070 -2.263993 -3.521382
H 1.307502 2.905222 3.151258
H -4.543563 0.829807 -1.328849
H -3.212478 -2.374762 2.325902
H 1.832576 -1.077672 1.766111
H 0.742967 1.818399 -2.128520
H 3.782615 -3.509580 -2.207412
H 2.675296 4.777659 1.467704
H -5.611937 -2.043984 1.749151
H 2.144223 3.813066 -2.705851
H 4.851522 -3.678372 0.043269
H 3.088505 5.253744 -0.950079


%chk=000266635-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000266635

0 1
Br -7.186790 -0.402775 -0.174657
Br 4.538643 -2.330878 2.562297
O -1.675305 1.205549 -1.856630
N -1.182071 -0.918700 1.023290
N 1.281753 -2.068463 -2.615416
N 0.832866 2.618932 2.261287
C -0.518816 -0.053931 -0.002364
C 0.414422 -0.881594 -0.870216
C 0.173327 1.126073 0.668493
C -1.761071 0.474927 -0.833641
C -2.962933 -0.074354 -0.191661
C -2.556935 -0.941733 0.870228
C 1.643642 -1.520044 -0.428401
C 1.005811 2.135198 0.031078
C 0.232095 -1.239382 -2.205875
C 0.084596 1.461581 2.020262
C 2.163085 -2.264638 -1.545943
C 1.410916 3.055801 1.061523
C -4.324620 0.104588 -0.522616
C -3.528786 -1.669759 1.605635
C 2.354261 -1.531433 0.803127
C 1.441206 2.365095 -1.301557
C 3.352456 -3.019119 -1.462613
C 2.238070 4.171298 0.803823
C -5.273179 -0.610566 0.225185
C -4.886616 -1.492177 1.272746
C 3.530485 -2.291956 0.869348
C 2.265976 3.473996 -1.564866
C 4.039773 -3.033482 -0.232030
C 2.663278 4.366502 -0.524844
H -0.650929 -1.619757 1.538070
H -0.556604 -0.941764 -2.892982
H -0.460440 0.959966 2.816245
H 1.392732 -2.452796 -3.550934
H 0.943372 3.068763 3.166951
H -4.607886 0.775980 -1.338336
H -3.245908 -2.349487 2.415589
H 2.013064 -0.940460 1.657567
H 1.118620 1.700377 -2.107373
H 3.743316 -3.581762 -2.316783
H 2.539135 4.861353 1.599864
H -5.655738 -2.037862 1.828216
H 2.605516 3.664474 -2.588850
H 4.964544 -3.606711 -0.124389
H 3.305668 5.221231 -0.764749


