%chk=000124577.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124577

0 1
 Br   4.311900       1.956600     -0.1762000    
 O   -3.165000       1.292400     -0.1033000    
 O   -3.110200      -1.457600      0.1481000    
 O    4.069900      -1.082600      9.9500000E-02
 N    1.748800      -1.371700      0.1315000    
 N    1.626300       1.442100     -0.1248000    
 C   0.4838000     -0.7210000      7.4800000E-02
 C   0.4577000      0.6746000     -5.2700002E-02
 C  -0.7735000       1.343100     -0.1116000    
 C   -1.971700      0.6360000     -4.4799998E-02
 C  -0.7293000      -1.424900      0.1416000    
 C   -1.948900     -0.7480000      8.1799999E-02
 C  -0.8109000       2.834400     -0.2482000    
 C    2.929100     -0.6387000      6.1799999E-02
 C    1.812800      -2.821900      0.2645000    
 C    2.770100      0.8471000     -7.2400004E-02
 C   -4.037100       1.151000       1.015900    
 C   -3.663800      -1.910900      -1.085600    
 H  -0.7498000      -2.506800      0.2415000    
 H  -0.3910000       3.303600      0.6480000    
 H  -0.2319000       3.151100      -1.122700    
 H   -1.820400       3.234400     -0.3823000    
 H    1.322500      -3.289500     -0.5950000    
 H    1.327000      -3.124900       1.197200    
 H    2.849500      -3.170000      0.2939000    
 H   -4.779200      0.3729000      0.8172000    
 H   -4.568600       2.097900       1.149400    
 H   -3.492900      0.9324000       1.941400    
 H   -2.973400      -2.597500      -1.585900    
 H   -3.892500      -1.064300      -1.740600    
 H   -4.592600      -2.445300     -0.8682000    


%chk=000124577-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124577

0 1
Br 4.402992 1.956516 -0.065995
O -3.240137 1.140925 -0.213234
O -3.026816 -1.733056 0.018973
O 4.168960 -1.164482 0.247596
N 1.823016 -1.369192 0.183509
N 1.625328 1.416773 -0.117968
C 0.546749 -0.785201 0.072222
C 0.462317 0.641782 -0.080343
C -0.805317 1.300730 -0.175230
C -1.973400 0.512593 -0.128224
C -0.640309 -1.555881 0.086436
C -1.884470 -0.915798 -0.032723
C -0.870355 2.804945 -0.307876
C 3.036840 -0.615011 0.147553
C 1.951356 -2.832876 0.345459
C 2.790586 0.844556 -0.014951
C -4.008336 1.116085 1.055994
C -3.948935 -1.646151 -1.142349
H -0.634454 -2.644204 0.170784
H -0.368566 3.297123 0.543851
H -0.330823 3.136320 -1.212596
H -1.916073 3.141102 -0.368150
H 1.529316 -3.356585 -0.530306
H 1.428335 -3.165730 1.258877
H 3.023219 -3.063529 0.428469
H -4.189998 0.075957 1.382993
H -4.960327 1.621113 0.833255
H -3.462235 1.668615 1.843482
H -3.446074 -2.042578 -2.044087
H -4.271690 -0.605528 -1.314540
H -4.804000 -2.285334 -0.877079


