%chk=000095342.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095342

0 1
 Br   2.815100       2.424600       1.174900    
 Br -0.2192000       3.646900      0.2074000    
 O  -0.6494000       1.343400      -1.963100    
 C    1.632100       1.448700     -6.7000002E-02
 C   0.1635000       1.721000      0.2796000    
 C    2.039600     -7.4999998E-03  8.6000003E-03
 C  -0.8023000       1.107600     -0.7501000    
 C   -1.873000      0.2269000     -0.3116000    
 C    3.044500     -0.4710000     -0.8223000    
 C    1.398600     -0.8423000      0.9070000    
 C   -2.441400      0.3950000      0.9512000    
 C   -2.332300     -0.7859000      -1.153800    
 C    3.420400      -1.812500     -0.7527000    
 C    1.774500      -2.183800      0.9766000    
 C    2.785400      -2.668800      0.1467000    
 C   -3.468600     -0.4497000       1.371900    
 C   -3.359700      -1.630400     -0.7331000    
 C   -3.927800      -1.462300      0.5298000    
 H    1.873500       1.856200      -1.056600    
 H  -7.1199998E-02   1.457400       1.311100    
 H    3.545600      0.1875000      -1.525800    
 H   0.6280000     -0.5035000       1.588900    
 H   -2.137200       1.190400       1.623900    
 H   -1.899100     -0.9368000      -2.139200    
 H    4.207800      -2.190100      -1.398400    
 H    1.284400      -2.849700       1.680900    
 H    3.079000      -3.712900      0.2021000    
 H   -3.916500     -0.3144000       2.352100    
 H   -3.716800      -2.419700      -1.388200    
 H   -4.728600      -2.118900      0.8567000    


%chk=000095342-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000095342

0 1
Br 2.687189 2.597304 1.434129
Br -0.569943 3.408877 0.229899
O -0.184219 0.587495 -1.865807
C 1.667804 1.440236 0.068376
C 0.161781 1.502801 0.358112
C 2.201620 0.023355 0.116164
C -0.649380 0.709561 -0.695926
C -1.953417 0.092012 -0.298255
C 2.888523 -0.491757 -1.011840
C 2.012503 -0.808553 1.251221
C -2.582086 0.331939 0.954444
C -2.579299 -0.777990 -1.234372
C 3.375831 -1.816740 -1.008004
C 2.497200 -2.133207 1.253455
C 3.179861 -2.642098 0.123287
C -3.809550 -0.290514 1.262888
C -3.801045 -1.402808 -0.921634
C -4.419253 -1.161572 0.329674
H 1.891105 1.921381 -0.894212
H -0.062834 1.202637 1.391433
H 3.026059 0.141074 -1.895499
H 1.518047 -0.411512 2.145758
H -2.140736 1.023935 1.679209
H -2.083027 -0.945646 -2.195801
H 3.904105 -2.204244 -1.885821
H 2.350888 -2.765694 2.135874
H 3.559042 -3.669968 0.126749
H -4.293243 -0.094145 2.225587
H -4.273451 -2.074925 -1.645860
H -5.371174 -1.645836 0.574273