%chk=000068760.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068760

0 1
 Br   4.696700     -2.3200000E-02 -0.9471000    
 O    2.875200       2.383100     -0.2449000    
 O    3.027100      -2.417400      9.1899998E-02
 N   -3.643300      0.8983000     -0.5532000    
 N   -3.522000      -1.499700     -0.3480000    
 N   -2.128700       2.277800      0.6414000    
 N   -5.130400     -0.4878000      -1.724600    
 C  -0.8366000     -4.6999999E-03   1.811200    
 C   0.4983000     -9.1000004E-03   1.146300    
 C   -2.002900     -0.1089000      0.8492000    
 C    1.160500      -1.215600      0.9198000    
 C    1.084300       1.193300      0.7506000    
 C    2.332700       1.189300      0.1283000    
 C    2.408900      -1.219700      0.2976000    
 C    2.995100     -1.7300000E-02 -9.8200001E-02
 C   -2.604400      0.9869000      0.3033000    
 C   -2.487000      -1.337500      0.5021000    
 C   -4.045000     -0.3566000     -0.8311000    
 C    2.567200       2.852000      -1.555600    
 C    2.754500      -3.083200      -1.139000    
 H  -0.8901000     -0.8489000       2.514700    
 H  -0.9340000      0.8632000       2.474100    
 H   0.7096000      -2.156200       1.226800    
 H   0.5855000       2.140500      0.9348000    
 H   -2.067300      -2.259300      0.8901000    
 H   -1.795900       2.447200       1.581200    
 H   -2.595800       3.051900      0.1833000    
 H    1.517200       3.157200      -1.606400    
 H    2.767500       2.088400      -2.313400    
 H    3.193900       3.723600      -1.763600    
 H    2.908500      -2.421400      -1.996900    
 H    1.726400      -3.458900      -1.141400    
 H    3.436500      -3.933500      -1.226700    
 H   -5.468700      -1.409600      -1.963600    
 H   -5.557100      0.3417000      -2.113400    


%chk=000068760-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068760

0 1
Br 4.681578 1.089683 -0.146192
O 2.336251 1.511863 -2.021771
O 3.529582 -1.010984 1.959558
N -3.487202 1.414315 0.716579
N -4.249966 0.154551 -1.243986
N -1.559443 0.831440 1.889958
N -5.434354 2.010614 -0.438127
C -1.067627 -1.522771 0.114986
C 0.334319 -0.906540 0.049328
C -2.210170 -0.536744 -0.054267
C 1.319002 -1.255043 0.998428
C 0.656781 0.015109 -0.975668
C 1.947457 0.589555 -1.051849
C 2.616934 -0.688779 0.935101
C 2.933834 0.236396 -0.086199
C -2.418302 0.570107 0.843071
C -3.172988 -0.668770 -1.073448
C -4.354269 1.164976 -0.314362
C 1.337753 1.922612 -3.016788
C 4.549952 -2.020977 1.605561
H -1.158678 -2.290506 -0.679827
H -1.168331 -2.066594 1.076699
H 1.108594 -1.964476 1.806425
H -0.117420 0.294871 -1.696464
H -3.087175 -1.487928 -1.800131
H -0.655504 0.368724 1.961564
H -1.761071 1.641460 2.473523
H 0.467125 2.405507 -2.534062
H 1.000998 1.061243 -3.624606
H 1.861727 2.647991 -3.655341
H 5.180359 -1.674635 0.766224
H 4.066825 -2.982508 1.344308
H 5.165310 -2.140890 2.509652
H -6.100247 1.846390 -1.187549
H -5.555232 2.766638 0.229272


