%chk=000191277.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191277

0 1
Br 3.766746 3.318621 -1.195722
Br 3.570871 -3.533527 -1.646879
O -5.899529 -1.419634 -0.186306
O 4.809315 0.050775 0.593755
C -3.030792 0.611183 -0.406909
C -3.608713 -0.655593 0.296646
C -1.569204 0.815479 0.003076
C -0.766144 -0.407658 -0.529742
C -2.866913 -1.879130 -0.251778
C -4.075820 1.708887 -0.129819
C -1.355416 -1.735617 0.001927
C -0.960457 2.093584 -0.583907
C -5.105421 -0.525116 -0.056385
C -5.423411 0.960920 -0.205733
C 0.710638 -0.257138 -0.221738
C -3.550673 -0.621323 1.830818
C 0.474487 2.278787 -0.079350
C 1.289496 1.015188 -0.014377
C 1.520438 -1.399612 -0.210486
C 2.667920 1.113806 0.279422
C 2.891604 -1.328538 0.062517
C 3.439583 -0.064379 0.335417
C 3.349307 2.414970 0.514221
C 3.750434 -2.543853 0.049180
C 5.163344 -0.194026 1.979568
H -3.044755 0.428184 -1.514668
H -1.488307 0.855206 1.115089
H -0.855587 -0.420572 -1.649799
H -3.068372 -1.999504 -1.333164
H -3.245195 -2.806006 0.221264
H -4.019997 2.524300 -0.867658
H -3.928013 2.170897 0.860403
H -1.152780 -1.819538 1.087671
H -0.831217 -2.589450 -0.472726
H -1.569022 2.975532 -0.310097
H -0.970712 2.053418 -1.690858
H -5.943107 1.142884 -1.163535
H -6.128678 1.284856 0.578645
H -4.016746 0.279310 2.244512
H -4.063067 -1.491757 2.259974
H -2.514550 -0.644283 2.190767
H 0.454496 2.741276 0.930999
H 0.982946 3.017006 -0.740532
H 1.080095 -2.376320 -0.435450
H 4.331786 2.282497 1.013408
H 2.745908 3.125245 1.103907
H 3.481457 -3.254357 0.850888
H 4.827388 -2.287676 0.136701
H 6.253033 -0.065101 1.962341
H 4.890251 -1.210257 2.274538
H 4.687756 0.545658 2.628968


%chk=000191277-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191277

0 1
Br 3.769872 3.388866 -1.311099
Br 4.063636 -3.242239 -1.943627
O -5.981957 -1.444884 -0.271293
O 4.919780 0.028111 0.505951
C -3.062736 0.625028 -0.353119
C -3.686914 -0.642720 0.305279
C -1.591781 0.819123 0.051422
C -0.792663 -0.436101 -0.424168
C -2.927067 -1.895003 -0.177388
C -4.117608 1.737760 -0.113164
C -1.407222 -1.762407 0.119690
C -0.940974 2.080936 -0.546169
C -5.159134 -0.508664 -0.133159
C -5.459345 0.990657 -0.369838
C 0.713779 -0.288007 -0.149552
C -3.730773 -0.590441 1.866764
C 0.481719 2.273516 0.015557
C 1.313043 0.993848 0.043904
C 1.549597 -1.428226 -0.151481
C 2.721766 1.092632 0.271987
C 2.947070 -1.359024 0.056582
C 3.520803 -0.084414 0.298963
C 3.389214 2.413795 0.482232
C 3.790905 -2.591927 0.002475
C 5.349355 -0.141089 1.909654
H -3.063228 0.431306 -1.452453
H -1.520653 0.893477 1.158233
H -0.914648 -0.466472 -1.532559
H -3.079593 -2.014026 -1.269017
H -3.328896 -2.807724 0.300455
H -3.987671 2.599716 -0.789766
H -4.065646 2.121227 0.923188
H -1.219634 -1.831057 1.209377
H -0.899267 -2.630966 -0.338267
H -1.545739 2.979321 -0.320176
H -0.902609 1.985853 -1.650571
H -5.793869 1.105829 -1.419338
H -6.301290 1.321389 0.264405
H -4.247213 0.309818 2.245106
H -4.276515 -1.474621 2.242405
H -2.718178 -0.603795 2.303931
H 0.407057 2.670871 1.051150
H 1.013449 3.046361 -0.570420
H 1.119147 -2.414753 -0.353296
H 4.396720 2.318760 0.902942
H 2.783587 3.148139 1.029600
H 3.326499 -3.466168 0.480393
H 4.818864 -2.432236 0.349390
H 6.445547 -0.046905 1.896860
H 5.059199 -1.135755 2.302123
H 4.908921 0.641790 2.558905


