%chk=000006489.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006489

0 1
 Br   3.926300      5.9999999E-02 -0.8344000    
 O    1.147200      0.2973000      -1.804100    
 O   -1.633300      0.2793000      -1.648300    
 O   -4.314200      0.1456000     -0.7874000    
 N  -0.1252000     -1.4200000E-02  0.1091000    
 N   -2.395500     -7.6600000E-02  0.5276000    
 C    2.312000     -5.7200000E-02  0.3167000    
 C    2.348300      -1.432400       1.026200    
 C    2.411200       1.073500       1.369300    
 C    1.080600      9.7999997E-02 -0.5926000    
 C    2.424000      -2.649200      0.1063000    
 C    2.553000       2.487300      0.8095000    
 C   -1.406900      8.2300000E-02 -0.4559000    
 C   -3.769200     -3.4699999E-02  0.2980000    
 C   -4.558400     -0.2591000       1.560100    
 H    1.466800      -1.546900       1.668400    
 H    3.214300      -1.477000       1.700500    
 H    1.526200       1.053700       2.017100    
 H    3.270200      0.8921000       2.029100    
 H    3.383600      -2.724100     -0.4118000    
 H    2.312200      -3.563200      0.6999000    
 H    1.622500      -2.640100     -0.6384000    
 H    3.519600       2.651800      0.3263000    
 H    1.758300       2.717200      9.3400002E-02
 H    2.479800       3.212700       1.627200    
 H  -8.7200001E-02 -0.1705000       1.111500    
 H   -2.077400     -0.2381000       1.479500    
 H   -4.402900      -1.282200       1.913400    
 H   -4.240100      0.4466000       2.332600    
 H   -5.622800     -0.1066000       1.361500    


%chk=000006489-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006489

0 1
Br 4.033644 -0.293644 -0.875514
O 1.156636 0.277572 -1.780842
O -1.510402 1.371580 -1.098773
O -4.076121 1.419943 0.369411
N -0.048221 0.035232 0.212062
N -2.364105 -0.193504 0.469895
C 2.413483 -0.065516 0.355988
C 2.365248 -1.319890 1.273718
C 2.629197 1.234203 1.186482
C 1.152909 0.090487 -0.549569
C 2.056512 -2.656452 0.569763
C 2.610170 2.550740 0.385152
C -1.331986 0.497749 -0.236550
C -3.706355 0.256771 0.640592
C -4.635135 -0.826645 1.184048
H 1.618296 -1.133184 2.078785
H 3.338906 -1.385027 1.793510
H 1.830452 1.265257 1.959003
H 3.588176 1.127997 1.727425
H 2.832828 -2.890743 -0.177768
H 2.028706 -3.479754 1.305748
H 1.083374 -2.631979 0.045274
H 3.399409 2.556393 -0.385385
H 1.641437 2.709501 -0.121259
H 2.783040 3.405465 1.062967
H 0.017178 -0.269356 1.187143
H -2.145571 -1.137375 0.801059
H -4.928516 -1.511274 0.366418
H -4.165709 -1.428920 1.983235
H -5.544480 -0.350327 1.578284


