%chk=000124528.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124528

0 1
 Br  -5.441900       1.417700     -0.8235000    
 O   0.4154000     -0.4560000      -2.856700    
 O    2.775600       3.100800     -0.4298000    
 O  -0.4173000      -2.004100       2.164100    
 O    1.485200      -2.150300      -1.770100    
 O    1.330600       2.196600       1.083700    
 N   0.9181000     -0.8904000      0.5933000    
 N    3.497100      0.1698000     -0.1131000    
 C    1.036700     -6.7599997E-02 -0.6220000    
 C    2.295400      0.8100000     -0.6479000    
 C    2.154700      -1.505900       1.075200    
 C    3.279100     -0.4854000       1.172000    
 C  -0.2885000      -1.224100       1.221700    
 C    1.019300      -1.020700      -1.782600    
 C    2.062500       2.083200      0.1116000    
 C   -1.520300     -0.5939000      0.7337000    
 C   -2.257100      -1.204600     -0.2774000    
 C   -1.945100      0.6126000       1.283900    
 C   -3.427500     -0.6044000     -0.7420000    
 C   -3.115500       1.212600      0.8193000    
 C   -3.856700      0.6042000     -0.1936000    
 H   0.1476000      0.5652000     -0.7074000    
 H    2.493200       1.090200      -1.691100    
 H    2.428600      -2.329900      0.4093000    
 H    1.991100      -1.950400       2.063200    
 H    3.059000      0.2549000       1.949800    
 H    4.201600     -0.9948000       1.471400    
 H    4.259400      0.8426000     -4.2800002E-02
 H   -1.931000      -2.146200     -0.7112000    
 H   -1.374300       1.094600       2.073200    
 H   0.3940000      -1.063800      -3.626400    
 H    2.635800       3.943400      5.2700002E-02
 H   -3.993100      -1.091500      -1.532200    
 H   -3.435700       2.154600       1.257100    


%chk=000124528-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124528

0 1
Br -5.887984 1.130777 -0.562034
O 1.383425 -0.133439 -3.065397
O 3.197476 2.749044 0.772063
O -0.316072 -2.179323 1.902973
O 0.937475 -2.114327 -1.935582
O 0.892049 2.681973 0.552908
N 0.933561 -0.748253 0.562746
N 3.491327 0.185701 -0.263185
C 1.061654 0.036255 -0.674378
C 2.304349 0.968224 -0.619585
C 2.166090 -1.469422 0.985532
C 3.360122 -0.506107 1.041129
C -0.290489 -1.226042 1.064122
C 1.134526 -0.885868 -1.910617
C 2.010613 2.187324 0.294175
C -1.584182 -0.595846 0.608933
C -2.655186 -1.476490 0.307754
C -1.812366 0.804237 0.588371
C -3.924977 -0.976793 -0.048423
C -3.085831 1.317278 0.251657
C -4.122431 0.420254 -0.074152
H 0.166847 0.665048 -0.816337
H 2.446094 1.385531 -1.634967
H 2.371051 -2.287414 0.268835
H 1.962254 -1.918539 1.969510
H 3.228282 0.205274 1.889945
H 4.279872 -1.088128 1.224418
H 4.358478 0.726748 -0.353476
H -2.486210 -2.556108 0.365762
H -1.016956 1.507789 0.855791
H 1.384360 -0.732290 -3.860113
H 2.991906 3.555601 1.318770
H -4.743204 -1.660519 -0.290974
H -3.259926 2.396850 0.249223


