%chk=000077654.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000077654

0 1
 Br   5.843800       1.030600     -6.8200000E-02
 O  -5.4499999E-02  -2.397100      0.3583000    
 O    3.232600       2.463000      0.7853000    
 O    4.819700      -1.806200     -0.7745000    
 N   -2.713500       1.928700     -0.3443000    
 N  -0.9114000     -0.2411000      7.7000000E-03
 C   -3.183100      0.6129000     -0.1337000    
 C   -2.312100     -0.4504000      3.9400000E-02
 C   -4.558400      0.3823000     -9.8099999E-02
 C   -2.779200      -1.738500      0.2473000    
 C    1.470900     -0.6589000      0.1072000    
 C   0.1153000      -1.183000      0.1618000    
 C   -2.471600       2.808000      0.7806000    
 C   -2.455800       2.407200      -1.686700    
 C   -5.044000     -0.9085000      0.1104000    
 C   -4.154600      -1.968900      0.2830000    
 C    2.519200      -1.479000     -0.3100000    
 C    1.722800      0.6636000      0.4724000    
 C    3.023000       1.166000      0.4205000    
 C    3.819400     -0.9767000     -0.3618000    
 C    4.071400      0.3459000      3.1999999E-03
 H  -0.6546000      0.7215000     -0.1917000    
 H   -5.261800       1.200500     -0.2311000    
 H   -2.165600      -2.614400      0.3898000    
 H   -2.317700       3.844400      0.4620000    
 H   -1.580700       2.489600       1.331800    
 H   -3.323700       2.803300       1.469200    
 H   -1.883800       3.341100      -1.683800    
 H   -3.399200       2.590900      -2.211300    
 H   -1.878400       1.674600      -2.261200    
 H   -6.114800      -1.088000      0.1383000    
 H   -4.534400      -2.973500      0.4452000    
 H    2.327500      -2.509300     -0.6011000    
 H   0.9409000       1.323000      0.8388000    
 H    4.181800       2.655400      0.6939000    
 H    4.447400      -2.680100     -0.9828000    


%chk=000077654-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000077654

0 1
Br 6.033334 0.990733 0.025144
O -0.011472 -2.474013 -0.266977
O 3.341575 2.507013 0.741736
O 5.022490 -1.820178 -0.735417
N -2.442545 1.866689 -0.114013
N -0.896625 -0.320438 -0.009421
C -3.115620 0.589920 0.054384
C -2.285742 -0.579796 0.055247
C -4.509281 0.450129 0.226716
C -2.867064 -1.867339 0.164989
C 1.537377 -0.617430 -0.063358
C 0.151020 -1.219453 -0.115409
C -2.987839 2.996148 0.671236
C -2.204628 2.228430 -1.540444
C -5.088059 -0.833418 0.364042
C -4.266651 -1.982654 0.315839
C 2.602296 -1.479454 -0.416358
C 1.805827 0.716041 0.324533
C 3.138348 1.185995 0.347384
C 3.933739 -1.015419 -0.395265
C 4.201228 0.321232 -0.016760
H -0.718011 0.693397 0.071688
H -5.145915 1.341747 0.244725
H -2.218775 -2.745232 0.141600
H -2.263164 3.829979 0.652272
H -3.133792 2.683601 1.718160
H -3.957014 3.382161 0.278464
H -1.510884 3.086776 -1.593229
H -3.147249 2.502086 -2.066183
H -1.750562 1.376398 -2.073974
H -6.171031 -0.933662 0.494234
H -4.713646 -2.978744 0.405939
H 2.354037 -2.511214 -0.693072
H 1.032134 1.418776 0.647389
H 4.313201 2.722732 0.732548
H 4.721763 -2.732640 -0.972588


