%chk=000090011.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090011

0 1
 Br  -1.541600       3.222800      8.4399998E-02
 O   -1.817700      0.2652000     -0.8734000    
 O    4.654900     -1.5600000E-02  0.5940000    
 N    2.720100      -1.104300     -0.1995000    
 C   -3.971700     -0.5349000     -0.2001000    
 C   -4.737200      -1.619300      0.5528000    
 C   -2.470400     -0.7834000     -0.1709000    
 C  -0.5459000      0.5813000     -0.4712000    
 C   -6.232400      -1.344200      0.5581000    
 C   0.4308000     -0.4074000     -0.5355000    
 C    1.735300     -0.1181000     -0.1349000    
 C  -0.2324000       1.855700     -1.0500000E-02
 C    2.055900       1.158000      0.3280000    
 C    1.072100       2.144900      0.3902000    
 C    4.072200      -1.001100      0.1535000    
 C    4.807800      -2.299500     -6.4999998E-02
 H   -4.312900     -0.4812000      -1.241500    
 H   -4.183300      0.4499000      0.2354000    
 H   -4.380800      -1.677100       1.587900    
 H   -4.550900      -2.595600      9.0499997E-02
 H   -2.126600     -0.8288000      0.8708000    
 H   -2.237800      -1.737000     -0.6584000    
 H   -6.454000     -0.3895000       1.045500    
 H   -6.628300      -1.309700     -0.4620000    
 H   -6.761200      -2.133700       1.101100    
 H   0.1849000      -1.399500     -0.9062000    
 H    3.042100       1.456900      0.6548000    
 H    1.339100       3.134300      0.7530000    
 H    2.407500      -2.008100     -0.5483000    
 H    4.374400      -3.080200      0.5665000    
 H    5.862700      -2.176400      0.1952000    
 H    4.734300      -2.595700      -1.115200    


%chk=000090011-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000090011

0 1
Br -1.289462 3.723626 -0.072350
O -1.928853 0.734021 0.066066
O 4.763884 -0.107807 -0.093975
N 2.628079 -1.082988 0.006426
C -4.005662 -0.494772 0.159102
C -4.713250 -1.869082 0.204904
C -2.482709 -0.633666 0.124773
C -0.545219 0.889551 0.019191
C -6.250608 -1.733879 0.245586
C 0.376679 -0.183639 0.034808
C 1.776190 0.058623 -0.014980
C -0.043749 2.218973 -0.048170
C 2.265505 1.386525 -0.082095
C 1.340313 2.453416 -0.097694
C 4.026660 -1.132922 -0.029825
C 4.588226 -2.555284 0.019799
H -4.333168 0.070213 -0.734261
H -4.290993 0.108038 1.042191
H -4.369299 -2.435586 1.094633
H -4.419493 -2.467706 -0.681783
H -2.108171 -1.146395 1.036127
H -2.154525 -1.204783 -0.769621
H -6.575403 -1.169669 1.139633
H -6.623979 -1.194874 -0.645069
H -6.741239 -2.723779 0.273027
H 0.008447 -1.214267 0.085794
H 3.339302 1.569835 -0.120814
H 1.707594 3.482785 -0.149150
H 2.151326 -1.986482 0.057086
H 4.327182 -3.055435 0.971106
H 5.683266 -2.500688 -0.059206
H 4.202128 -3.173203 -0.812157


