%chk=000048593.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048593

0 1
 Br   1.400400       3.469200      2.7300000E-02
 O  -0.6049000      -1.929000       1.387300    
 O   0.7430000       1.082800      -1.953700    
 O    3.794400      -1.651100      0.1130000    
 N    1.607300      -1.718400      0.8181000    
 N    2.280900     -0.2135000     -0.8504000    
 C   3.9099999E-02  3.2699998E-02  0.1155000    
 C   -1.382800      6.9799997E-02 -0.4247000    
 C   -1.687000      -1.119400      -1.347800    
 C   0.2086000       1.134200       1.177200    
 C   -3.143100      -1.500100      -1.078300    
 C   -2.423200     -8.0399998E-02  0.6422000    
 C   0.2847000      -1.301500      0.8131000    
 C    1.020500      0.3426000      -1.010300    
 C   -3.384800     -0.9351000      0.2806000    
 C  -8.3800003E-02   2.499800      0.6302000    
 C    2.645000      -1.212900      4.4100001E-02
 C   -1.314100       3.030300      0.6166000    
 H   -1.593000      0.9821000     -0.9955000    
 H   -1.045900      -1.991900      -1.179700    
 H   -1.547500     -0.8466000      -2.400800    
 H    1.232900       1.113200       1.577900    
 H  -0.4054000      0.9457000       2.067200    
 H   -3.275200      -2.585800      -1.095000    
 H   -3.822600      -1.047200      -1.807400    
 H   -2.460200      0.4377000       1.588500    
 H   -4.249300      -1.169900      0.8843000    
 H    1.825200      -2.530200       1.389300    
 H    2.995300      8.3999999E-02  -1.508900    
 H   -1.484900       4.029700      0.2267000    
 H   -2.182200       2.530300       1.020400    


%chk=000048593-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048593

0 1
Br 1.481007 3.818269 0.335422
O -0.222825 -1.407053 2.148277
O 0.786270 1.286351 -1.784757
O 3.457078 -2.297349 -0.537053
N 1.549559 -1.847781 0.737587
N 2.133958 -0.442485 -1.065365
C 0.078285 0.148979 0.274460
C -1.375552 0.006138 -0.327068
C -1.530910 -1.170757 -1.349971
C 0.161089 1.360654 1.301936
C -3.018753 -1.626966 -1.227538
C -2.509327 -0.250928 0.657907
C 0.431294 -1.085024 1.122893
C 1.009281 0.394893 -0.928270
C -3.417306 -1.124429 0.152742
C -0.129565 2.746956 0.768282
C 2.454055 -1.579170 -0.306163
C -1.345568 3.323238 0.637030
H -1.539120 0.971156 -0.850387
H -0.875739 -2.014665 -1.057763
H -1.256970 -0.868925 -2.374656
H 1.157413 1.347858 1.778068
H -0.569614 1.122798 2.095167
H -3.134166 -2.721351 -1.335547
H -3.652069 -1.161645 -2.010528
H -2.595522 0.247792 1.627240
H -4.347810 -1.419108 0.648280
H 1.772347 -2.663881 1.317633
H 2.761645 -0.241442 -1.851167
H -1.478982 4.340309 0.261432
H -2.246081 2.758668 0.908877


