%chk=000245225.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245225

0 1
Br -3.119229 -4.061418 1.075685
Br -5.134069 -1.734197 1.761458
O 4.547675 -0.568893 -0.208372
O -5.484201 2.338149 -1.359579
O 4.823552 1.664385 -0.435414
C 0.934795 -0.894024 -0.736405
C 2.089469 -0.075275 -0.068542
C -0.361525 -0.735057 0.067443
C -0.762393 0.771516 0.000934
C 1.720436 1.412640 -0.171898
C -2.110597 1.022575 0.751650
C 3.289587 -0.529681 -0.953594
C 0.375522 1.672176 0.526706
C 1.543807 -2.291735 -0.942326
C 3.018429 -2.007572 -1.311296
C -1.477704 -1.651182 -0.475589
C 2.357468 -0.465831 1.390459
C -3.130627 0.092769 0.092822
C -2.561523 2.502739 0.639651
C -2.778648 -1.348218 0.215565
C -2.017286 0.667543 2.245528
C -3.244998 2.845981 -0.681908
C -4.178602 0.499010 -0.632973
C -4.430802 1.931906 -0.923444
C -3.530976 -2.227022 0.886358
C 5.234130 0.610244 -0.012228
C 6.482172 0.294876 0.767931
C 7.320142 1.542639 1.002100
H 0.749633 -0.466377 -1.756760
H -0.177503 -1.012931 1.136090
H -0.933672 1.034722 -1.072949
H 1.672136 1.730131 -1.230238
H 2.518568 2.039651 0.275230
H 3.445120 0.122520 -1.833871
H 0.495797 1.529957 1.618415
H 0.092943 2.735875 0.391535
H 1.028371 -2.855174 -1.734983
H 1.474211 -2.902110 -0.026067
H 3.708665 -2.664851 -0.749652
H 3.212936 -2.196631 -2.378726
H -1.171848 -2.710715 -0.360442
H -1.608635 -1.504779 -1.569606
H 2.759331 -1.483315 1.466517
H 3.095146 0.204167 1.845266
H 1.446644 -0.421608 1.998025
H -1.689981 3.171493 0.791961
H -3.259786 2.735316 1.471104
H -1.579899 -0.326006 2.406551
H -1.398370 1.386176 2.792962
H -3.009069 0.656420 2.716519
H -2.540852 2.755926 -1.533690
H -3.576431 3.904690 -0.685308
H -4.905454 -0.194451 -1.062637
H 6.199657 -0.181397 1.732540
H 7.067552 -0.480061 0.225148
H 6.759688 2.308796 1.555468
H 8.226365 1.311245 1.573603
H 7.629735 2.005378 0.054575


%chk=000245225-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245225

0 1
Br -3.465066 -4.181694 0.345790
Br -5.593225 -1.829435 1.089987
O 4.614913 -0.475406 0.012199
O -5.046415 2.615182 -1.994310
O 4.958122 1.581870 -1.049518
C 0.945837 -0.962325 -0.479436
C 2.087665 -0.204889 0.275448
C -0.428035 -0.788031 0.199022
C -0.778118 0.738344 0.218961
C 1.750100 1.304605 0.277713
C -2.224066 0.990840 0.819918
C 3.279583 -0.628825 -0.633413
C 0.348710 1.570096 0.895126
C 1.520587 -2.386020 -0.709341
C 3.050413 -2.136451 -0.941109
C -1.513985 -1.632596 -0.524068
C 2.319769 -0.720609 1.720408
C -3.183864 0.153702 -0.041820
C -2.658093 2.487371 0.779928
C -2.920990 -1.318773 -0.018018
C -2.319151 0.521206 2.302513
C -3.048991 3.002006 -0.620294
C -4.088666 0.693104 -0.919770
C -4.159166 2.141771 -1.222542
C -3.822355 -2.253601 0.380240
C 5.360762 0.673579 -0.287863
C 6.698983 0.626038 0.434927
C 7.569178 1.866800 0.169096
H 0.866081 -0.482302 -1.483592
H -0.353606 -1.159427 1.240240
H -0.821465 1.057622 -0.847538
H 1.771180 1.683456 -0.764157
H 2.513272 1.880041 0.835763
H 3.283439 -0.008699 -1.550167
H 0.373691 1.357822 1.981174
H 0.127138 2.648866 0.794030
H 1.051361 -2.892819 -1.570458
H 1.352542 -3.027355 0.176243
H 3.672376 -2.744854 -0.261896
H 3.359529 -2.379782 -1.972078
H -1.286977 -2.705983 -0.415098
H -1.484293 -1.395907 -1.609756
H 2.512527 -1.807071 1.751888
H 3.202641 -0.220717 2.155829
H 1.457502 -0.513599 2.376373
H -1.862780 3.120023 1.212566
H -3.537434 2.599019 1.445019
H -2.017140 -0.530268 2.440183
H -1.681560 1.153472 2.946724
H -3.359282 0.613617 2.663106
H -2.180806 2.968882 -1.310659
H -3.390280 4.051300 -0.587138
H -4.760045 0.047870 -1.499020
H 6.496109 0.500797 1.516021
H 7.217024 -0.301131 0.122627
H 7.059251 2.787813 0.499685
H 8.528740 1.784768 0.709348
H 7.781830 1.977785 -0.907732


