%chk=000005028.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005028

0 1
 Br   2.250500       2.226000       2.207400    
 Br   1.731400      -1.683200      -1.994300    
 O   1.3600000E-02  0.7839000      -2.481600    
 O  -0.9958000      -2.732000      0.7691000    
 N  -0.2126000     -0.2625000     -5.7000001E-03
 N    1.668100       2.260500      -1.882600    
 C   0.8198000      0.7499000     -0.1943000    
 C   -1.584800      3.2600001E-02  0.1535000    
 C    2.181400      0.1921000      0.1560000    
 C   -2.520500     -0.9866000      0.3300000    
 C   -1.999600       1.364300      0.1323000    
 C   -3.350100       1.676500      0.2879000    
 C   0.7697000       1.245800      -1.629900    
 C    2.905000      0.7600000       1.195400    
 C    2.688600     -0.8789000     -0.5665000    
 C   -3.871100     -0.6743000      0.4856000    
 C   -4.285900      0.6573000      0.4647000    
 C   -2.119700      -2.387500      0.3571000    
 C    4.161000      0.2464000       1.518800    
 C    3.944400      -1.392600     -0.2431000    
 C   -3.794300       3.100100      0.2650000    
 C    4.680600     -0.8299000      0.7996000    
 C   -3.079700      -3.467900     -0.1243000    
 H   0.5789000       1.612500      0.4205000    
 H   4.5600001E-02  -1.238900     -9.1499999E-02
 H   -1.316300       2.193400     -1.5000000E-02
 H   -4.622400      -1.443800      0.6394000    
 H   -5.340900      0.8868000      0.5887000    
 H    4.750000      0.6713000       2.327500    
 H    4.366300      -2.230700     -0.7919000    
 H   -3.101400       3.732000      0.8310000    
 H   -3.842500       3.462000     -0.7670000    
 H   -4.783500       3.220600      0.7192000    
 H    5.658500      -1.229800       1.051300    
 H    2.277800       2.642100      -1.166600    
 H    1.737500       2.675300      -2.806000    
 H   -3.702500      -3.098600     -0.9436000    
 H   -3.702700      -3.803300      0.7083000    
 H   -2.500300      -4.312600     -0.5092000    


%chk=000005028-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005028

0 1
Br 1.885021 2.072021 2.365783
Br 2.176499 -1.530794 -2.321878
O -0.078791 1.396909 -2.683302
O -0.880893 -2.738826 -0.279931
N -0.253713 -0.203791 -0.320097
N 2.036841 2.164047 -2.107982
C 0.804761 0.787008 -0.440428
C -1.579028 0.082871 -0.052815
C 2.138345 0.222309 0.057276
C -2.518152 -1.011217 0.133250
C -2.062439 1.425376 0.058893
C -3.400959 1.710221 0.371815
C 0.882221 1.438761 -1.871598
C 2.736301 0.667906 1.271686
C 2.853070 -0.802507 -0.633661
C -3.873475 -0.688146 0.443974
C -4.315939 0.631525 0.573238
C -2.095810 -2.415371 0.006837
C 3.944789 0.146701 1.776050
C 4.061148 -1.347668 -0.153245
C -3.887666 3.144206 0.468516
C 4.606679 -0.869288 1.055881
C -3.106001 -3.541650 0.211487
H 0.556628 1.640254 0.221013
H -0.061932 -1.220616 -0.446734
H -1.388167 2.262173 -0.145773
H -4.589106 -1.503997 0.587181
H -5.363117 0.845439 0.814437
H 4.356893 0.522433 2.715873
H 4.565290 -2.136721 -0.717137
H -3.059557 3.866022 0.368250
H -4.625404 3.364083 -0.326575
H -4.389816 3.329682 1.436567
H 5.542863 -1.288260 1.437619
H 2.829436 2.145362 -1.467423
H 2.122321 2.662234 -2.993804
H -3.933728 -3.477761 -0.518578
H -3.549208 -3.511514 1.223764
H -2.584103 -4.501114 0.076768


