%chk=000072580.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072580

0 1
 Br   5.017000      0.6785000      0.8985000    
 O    2.748000       2.293900       1.132700    
 O   -2.071400      -3.131200     -0.5699000    
 O   -3.000000     -0.4069000       1.060600    
 O   -3.354700     -0.1519000      -1.212800    
 N   0.2273000      -2.886800     -0.4876000    
 C    1.106700     -0.6522000     -0.1207000    
 C  -0.2324000     -5.6499999E-02 -0.3574000    
 C    1.334100      -2.028300     -0.2429000    
 C    2.166600      0.1818000      0.2770000    
 C  -0.3398000       1.431900     -0.5142000    
 C   -1.277800     -0.9174000     -0.3659000    
 C   0.6975000       2.240700     -2.0000000E-02
 C    1.926900       1.621600      0.5215000    
 C   -1.077800      -2.406200     -0.4783000    
 C    2.635800      -2.529900     -6.3800000E-02
 C    3.452100     -0.3292000      0.4782000    
 C   -1.355900       2.074200      -1.242400    
 C    3.686800      -1.684100      0.2875000    
 C   0.6454000       3.639500     -0.1171000    
 C   0.4577000      -4.319300     -0.6614000    
 C   -2.674000     -0.4426000     -0.2516000    
 C   -1.408600       3.467600      -1.350600    
 C  -0.4200000       4.251100     -0.7687000    
 C   -4.332900      3.5999998E-02   1.336000    
 C   -4.556500      2.5599999E-02   2.833200    
 H    2.860500      -3.587900     -0.1659000    
 H   -2.095400       1.531200      -1.811500    
 H    4.676700      -2.115500      0.4168000    
 H    1.443100       4.263600      0.2769000    
 H    1.164700      -4.481600      -1.481000    
 H  -0.4685000      -4.844600     -0.9115000    
 H   0.8434000      -4.740600      0.2722000    
 H   -2.211300       3.936500      -1.912600    
 H  -0.4567000       5.332500     -0.8588000    
 H   -4.467400       1.052400      0.9490000    
 H   -5.049300     -0.6359000      0.8502000    
 H   -5.568100      0.3598000       3.080100    
 H   -4.407700     -0.9809000       3.237900    
 H   -3.835500      0.6796000       3.334800    


%chk=000072580-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000072580

0 1
Br 5.355638 0.612524 0.349774
O 3.082215 2.436789 0.866761
O -2.042193 -3.153777 -0.255659
O -3.111593 -0.289312 0.947063
O -3.365627 -0.491791 -1.361812
N 0.286830 -2.863657 -0.308336
C 1.237168 -0.594266 -0.134148
C -0.108294 -0.022659 -0.279223
C 1.400532 -2.020159 -0.204636
C 2.393660 0.236536 0.100227
C -0.242391 1.451004 -0.393956
C -1.186898 -0.906178 -0.298297
C 0.865226 2.274525 -0.033440
C 2.184422 1.699512 0.353285
C -1.041472 -2.367711 -0.278056
C 2.705364 -2.582339 -0.163072
C 3.677585 -0.365801 0.138603
C -1.418965 2.096591 -0.871593
C 3.827997 -1.762553 -0.014564
C 0.760793 3.688309 -0.067371
C 0.449053 -4.331692 -0.379144
C -2.650496 -0.533402 -0.334495
C -1.508262 3.500542 -0.922450
C -0.424188 4.307258 -0.498929
C -4.585236 -0.032424 1.078864
C -4.869659 0.121340 2.568066
H 2.847855 -3.661133 -0.246061
H -2.258531 1.514483 -1.251699
H 4.828291 -2.203500 -0.000187
H 1.635373 4.270316 0.238892
H 1.023449 -4.616908 -1.277677
H -0.561193 -4.763077 -0.436836
H 0.954486 -4.717226 0.523767
H -2.423155 3.966152 -1.304361
H -0.500312 5.398976 -0.530915
H -4.826289 0.878375 0.500639
H -5.117013 -0.886794 0.624096
H -5.947128 0.313273 2.722898
H -4.597544 -0.796543 3.115734
H -4.300895 0.964895 2.994748


