%chk=000055914.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055914

0 1
 Br   1.629200       3.555200      0.3132000    
 O   -1.798900      1.9999999E-04 -0.9623000    
 O   -4.345900      -1.353700      0.1379000    
 O   -2.129300       2.766800     -0.7320000    
 N   6.0000003E-04  -1.356500     -0.2214000    
 N    2.010900      -2.327400     -0.1822000    
 N   0.6613000      0.9687000      2.4800001E-02
 N    3.085700       1.191600      0.1942000    
 N    4.557900     -0.6931000      0.1187000    
 C   -1.449900      -1.227000     -0.2986000    
 C   -3.416100     -0.4490000      0.7295000    
 C   -2.149800      -1.208700       1.052700    
 C   -2.956900      0.5655000     -0.3124000    
 C   -2.548900       1.896400      0.3042000    
 C   0.9108000     -0.3456000     -7.5900003E-02
 C   0.7132000      -2.527600     -0.2798000    
 C    2.148600     -0.9681000     -5.4400001E-02
 C    3.263000     -0.1472000      8.6599998E-02
 C    1.814600       1.659500      0.1572000    
 H   -1.810600      -2.051400     -0.9257000    
 H   -3.895700     -4.8000002E-03   1.605600    
 H   -1.558600     -0.6548000       1.791600    
 H   -2.321000      -2.220700       1.432300    
 H   -3.710000      0.7297000      -1.091500    
 H   -1.719900       1.780500       1.008300    
 H   -3.394600       2.357100      0.8244000    
 H   0.2324000      -3.489800     -0.3920000    
 H   -3.996700      -1.650000     -0.7192000    
 H   -1.874500       3.607300     -0.3148000    
 H    4.693200      -1.691900      3.9799999E-02
 H    5.351500     -7.5599998E-02  0.2231000    


%chk=000055914-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055914

0 1
Br 1.560712 3.034507 2.267874
O -2.136320 -0.548249 -1.123052
O -4.542426 -1.150974 0.679142
O -2.236477 2.430216 -1.593010
N -0.056251 -1.402211 -0.182412
N 2.024519 -2.087452 -0.900091
N 0.628634 0.698817 0.998680
N 3.045444 1.069461 0.892295
N 4.526880 -0.404955 -0.204976
C -1.527479 -1.429205 -0.101267
C -3.404561 -0.239186 0.877090
C -2.113610 -0.998259 1.266998
C -3.009405 0.467054 -0.440357
C -2.320458 1.820117 -0.258743
C 0.855907 -0.440124 0.273712
C 0.709511 -2.352020 -0.890705
C 2.129236 -0.888323 -0.173749
C 3.254915 -0.080848 0.165591
C 1.778253 1.368865 1.246852
H -1.808390 -2.465425 -0.369175
H -3.745265 0.455068 1.659810
H -1.416117 -0.322272 1.789021
H -2.339847 -1.859538 1.913635
H -3.880616 0.598047 -1.105518
H -1.323207 1.694061 0.206417
H -2.953353 2.446574 0.408852
H 0.242543 -3.208509 -1.373219
H -4.403021 -1.654718 -0.164535
H -1.533062 3.125266 -1.593238
H 4.693992 -1.249502 -0.748930
H 5.294918 0.209317 0.058907


