%chk=000004842.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004842

0 1
 Br   6.411100      -1.188300     -0.1109000    
 Br  -6.408900       1.190800      0.1283000    
 O    3.018900       1.922100     -5.2999999E-02
 O   -3.010100      -1.912800      0.1272000    
 N    1.332700      0.3682000      0.3162000    
 N   -1.331600     -0.3673000     -0.3066000    
 C   0.2736000       1.379700      0.3569000    
 C   0.8776000      -1.002900      0.5826000    
 C  -0.8763000       1.003600     -0.5737000    
 C  -0.2724000      -1.378800     -0.3481000    
 C    2.655500      0.7541000      0.1068000    
 C   -2.654300     -0.7528000     -9.5500000E-02
 C    3.682800     -0.3490000      7.4900001E-02
 C   -3.691500      0.3404000     -0.1458000    
 C    5.062700      0.2192000     -0.1591000    
 C   -5.069900     -0.2264000      9.9699996E-02
 H   0.6635000       2.366300      8.8000000E-02
 H  -7.7900000E-02   1.432600       1.394300    
 H   0.5427000      -1.026000       1.626700    
 H    1.681100      -1.733900      0.4815000    
 H   -1.679600       1.734800     -0.4730000    
 H  -0.5413000       1.026200      -1.617700    
 H   7.9099998E-02  -1.430500      -1.385600    
 H  -0.6622000      -2.365800     -8.0700003E-02
 H    3.428300      -1.052600     -0.7260000    
 H    3.658100     -0.8816000       1.032600    
 H   -3.654200      0.8265000      -1.127300    
 H   -3.456500       1.083700      0.6247000    
 H    5.352600      0.9376000      0.6139000    
 H    5.152000      0.6968000      -1.139500    
 H   -5.146000     -0.7290000       1.068800    
 H   -5.376300     -0.9226000     -0.6868000    


%chk=000004842-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004842

0 1
Br 6.509048 -1.210379 -0.149733
Br -6.512102 1.207463 0.124540
O 2.961277 1.949899 -0.139920
O -2.963245 -1.952011 0.123337
N 1.334928 0.357054 0.339001
N -1.337847 -0.359871 -0.360958
C 0.272971 1.385607 0.363359
C 0.856327 -1.017069 0.599567
C -0.859000 1.014009 -0.622302
C -0.275768 -1.388178 -0.386188
C 2.649973 0.736677 0.088720
C -2.652281 -0.739023 -0.106988
C 3.722335 -0.366375 0.099627
C -3.724565 0.364122 -0.117442
C 5.101789 0.254166 -0.144826
C -5.103450 -0.255726 0.131878
H 0.734712 2.348299 0.089459
H -0.138428 1.463105 1.390147
H 0.467980 -1.080640 1.636281
H 1.680451 -1.738755 0.498457
H -1.683026 1.735956 -0.522202
H -0.470402 1.076566 -1.658967
H 0.135579 -1.464464 -1.413085
H -0.737085 -2.351230 -0.112921
H 3.510207 -1.119698 -0.682799
H 3.718831 -0.901593 1.067948
H -3.723400 0.896964 -1.087056
H -3.510364 1.119288 0.662648
H 5.401779 0.949945 0.649559
H 5.179156 0.744045 -1.124011
H -5.181083 -0.737093 1.115280
H -5.401998 -0.958760 -0.656613


