%chk=000188031.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188031

0 1
Br 4.062031 3.003590 0.129948
Br 2.703273 -0.579818 -2.402824
O 4.391817 -0.430678 -0.123165
O 2.791695 -1.761802 0.914192
O -0.292633 1.692409 0.435727
O -1.877545 -2.773479 0.049819
O -4.669709 2.654849 -0.281093
O -1.545157 3.488503 0.246059
C 2.506368 0.675747 0.904688
C 3.546308 -0.491306 1.023372
C 1.229021 -0.069594 0.678779
C 2.964231 1.444059 -0.351367
C 3.839614 0.437830 -1.108571
C 1.481007 -1.462396 0.668939
C -0.073620 0.378456 0.457263
C -1.134151 -0.575331 0.250195
C -2.429746 -0.040870 0.038802
C 0.498033 -2.435052 0.473577
C -0.800286 -1.967191 0.262225
C -3.688865 -0.827030 -0.192926
C -2.668106 1.324100 0.026349
C -4.792149 0.230211 -0.356729
C -4.106760 1.596131 -0.210441
C -1.660046 2.307336 0.212195
C -1.672124 -4.214915 0.021916
H 2.453472 1.317749 1.811535
H 4.196911 -0.616015 1.898947
H 2.098976 1.845444 -0.931005
H 4.708062 0.816360 -1.684796
H 0.765753 -3.485762 0.476392
H -3.591586 -1.481139 -1.084315
H -3.887100 -1.521332 0.649622
H -5.591467 0.125936 0.398707
H -5.296617 0.164361 -1.337467
H -2.690231 -4.579123 -0.170013
H -1.303289 -4.560847 0.992527
H -0.994788 -4.482292 -0.795563


%chk=000188031-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188031

0 1
Br 4.205918 2.996605 0.408273
Br 2.641848 -0.299294 -2.610866
O 4.410130 -0.413112 -0.251024
O 2.820483 -1.828212 0.928490
O -0.263963 1.684789 0.399154
O -1.914425 -2.894010 0.100741
O -4.628954 2.781160 -0.356033
O -1.626517 3.542833 0.151367
C 2.522962 0.618540 0.905782
C 3.574378 -0.545007 0.950309
C 1.232367 -0.137428 0.660696
C 2.990721 1.499315 -0.280696
C 3.852311 0.560188 -1.134305
C 1.474063 -1.519921 0.685543
C -0.074104 0.312629 0.437519
C -1.153795 -0.621014 0.245849
C -2.459950 -0.058310 0.019275
C 0.477552 -2.494610 0.510674
C -0.837766 -2.030969 0.290379
C -3.767185 -0.803643 -0.211055
C -2.663361 1.326464 -0.015260
C -4.836924 0.299021 -0.395143
C -4.096861 1.647476 -0.264781
C -1.610181 2.309397 0.163387
C -1.656252 -4.342588 0.120117
H 2.493104 1.206060 1.836394
H 4.263867 -0.601948 1.801619
H 2.186836 2.022732 -0.809890
H 4.651293 1.011081 -1.731830
H 0.736582 -3.553452 0.536882
H -3.675940 -1.467841 -1.088454
H -3.978851 -1.473561 0.640821
H -5.636060 0.252348 0.365819
H -5.332560 0.255279 -1.381184
H -2.637687 -4.806833 -0.050816
H -1.255259 -4.658463 1.100978
H -0.957221 -4.628603 -0.687232


