%chk=000039613.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039613

0 1
 Br  -6.572300     -0.6431000     -0.5760000    
 O    2.231900       3.928200     -0.1450000    
 O  -0.1739000       3.881300     -0.1986000    
 O   -1.535900      -2.593200      -1.237400    
 O    5.427400      -2.275900      0.8890000    
 O    3.512100      -1.572900       1.888300    
 N   6.9999998E-04  -1.075100     -0.5592000    
 C    1.808900      0.2826000     -0.4231000    
 C   0.4001000      0.2626000     -0.4472000    
 C    2.249200      -1.059200     -0.5162000    
 C    1.137700      -1.859600     -0.5910000    
 C    2.501200       1.511000     -0.3182000    
 C  -0.3503000       1.456300     -0.3788000    
 C    3.655200      -1.517000     -0.5263000    
 C    1.739900       2.662300     -0.2474000    
 C   0.3705000       2.633800     -0.2774000    
 C    1.115500      -3.338300     -0.6954000    
 C   -1.321600      -1.569600     -0.5964000    
 C   -2.474900     -0.9348000      7.0299998E-02
 C    1.012300       4.695500     -0.1121000    
 C    4.159300      -1.794200      0.8725000    
 C   -3.749800      -1.067300     -0.4740000    
 C   -2.282100     -0.2057000       1.241000    
 C   -4.839400     -0.4667000      0.1570000    
 C   -3.371500      0.3948000       1.871800    
 C   -4.650200      0.2642000       1.329900    
 H    3.585000       1.553500     -0.2935000    
 H   -1.426700       1.489000     -0.4748000    
 H    4.302100     -0.7520000     -0.9706000    
 H    3.768600      -2.427000      -1.125100    
 H   0.3851000      -3.774100     -5.5999998E-03
 H   0.8687000      -3.648700      -1.715800    
 H    2.080300      -3.786100     -0.4386000    
 H   0.9802000       5.264800      0.8240000    
 H    1.017200       5.399400     -0.9523000    
 H   -3.900500      -1.631200      -1.391600    
 H   -1.310200     -0.1316000       1.720100    
 H   -3.226200      0.9535000       2.791800    
 H   -5.488700      0.7361000       1.835600    
 H    5.747600      -2.432200       1.802900    


%chk=000039613-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039613

0 1
Br -6.634223 -0.242160 -0.592299
O 2.374681 3.891230 -0.014505
O -0.013574 3.938948 -0.164571
O -1.651035 -2.516367 -1.555385
O 4.928776 -0.662752 1.249531
O 4.060998 -2.781066 1.654376
N -0.053717 -1.109729 -0.577725
C 1.832928 0.196043 -0.372305
C 0.400470 0.238074 -0.413476
C 2.235841 -1.193541 -0.530913
C 1.091409 -1.971786 -0.668881
C 2.602235 1.388519 -0.236595
C -0.329569 1.455447 -0.392235
C 3.665162 -1.689309 -0.537975
C 1.872199 2.572626 -0.189906
C 0.455176 2.602801 -0.274692
C 0.967372 -3.461923 -0.799709
C -1.395927 -1.552532 -0.780348
C -2.480635 -0.885229 0.013232
C 1.210318 4.776430 -0.263920
C 4.215847 -1.814753 0.878688
C -3.781800 -0.852982 -0.553069
C -2.267609 -0.411551 1.333691
C -4.840656 -0.316780 0.199162
C -3.350699 0.103252 2.076283
C -4.646756 0.164641 1.512444
H 3.691643 1.369866 -0.164408
H -1.415611 1.517829 -0.457516
H 4.305434 -0.996109 -1.109607
H 3.726306 -2.685447 -1.005155
H 0.244160 -3.875897 -0.073983
H 0.611023 -3.758772 -1.800779
H 1.942670 -3.934711 -0.600994
H 1.176078 5.553323 0.514058
H 1.281138 5.189151 -1.289033
H -3.936518 -1.256057 -1.557968
H -1.268226 -0.457432 1.776667
H -3.193494 0.461147 3.098762
H -5.485172 0.572068 2.084674
H 5.235855 -0.751110 2.192986


