%chk=000107926.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107926

0 1
 Br   5.247900       1.639500      0.7643000    
 O    3.080200       2.124900      -1.014100    
 O   -3.391200     -0.7201000      0.5353000    
 O   -3.160700      0.3410000      -1.494400    
 N    1.009500       1.687300     -0.1154000    
 N   0.8005000      -1.282200     -0.3502000    
 N   -1.123200      -2.143800      -1.108600    
 C   9.2000000E-02  0.8931000      0.6871000    
 C   -1.108400       1.817500      0.9074000    
 C   -1.089900       2.732600     -0.3131000    
 C   0.3966000       2.934200     -0.5537000    
 C  -0.1877000     -0.3540000     -7.3200002E-02
 C    2.323600       1.371500     -0.3999000    
 C   -1.347300     -0.9062000     -0.5775000    
 C    2.180500      -1.180500     -3.2400001E-02
 C    2.860100      5.2800000E-02  4.5699999E-02
 C   0.1615000      -2.353500     -0.9368000    
 C   -2.675200     -0.3689000     -0.5865000    
 C    2.884400      -2.371800      0.2227000    
 C    4.218100      6.0600001E-02  0.4149000    
 C   -4.736800     -0.2434000      0.6426000    
 C    4.230400      -2.341200      0.5885000    
 C    4.894500      -1.126200      0.6934000    
 C   -5.537600     -0.7764000     -0.5447000    
 C   -5.308600     -0.7712000       1.956600    
 C   -4.713200       1.284400      0.6419000    
 H   0.5606000      0.6449000       1.647200    
 H  -0.9049000       2.440000       1.790400    
 H   -2.049800       1.324600       1.107200    
 H   -1.540200       2.243000      -1.180600    
 H   -1.616800       3.675700     -0.1436000    
 H   0.6405000       3.141400      -1.599800    
 H   0.7999000       3.740100      6.9499999E-02
 H   0.6803000      -3.248600      -1.253300    
 H    2.399400      -3.343900      0.1850000    
 H    4.754400      -3.267900      0.8040000    
 H    5.936900      -1.128100       1.002600    
 H   -5.323900      -1.837400     -0.7187000    
 H   -6.613400     -0.6758000     -0.3586000    
 H   -5.349500     -0.2502000      -1.484100    
 H   -4.700200     -0.4413000       2.806500    
 H   -5.294500      -1.867000       1.973700    
 H   -6.338300     -0.4351000       2.116300    
 H   -4.318800       1.758000     -0.2577000    
 H   -5.732300       1.671600      0.7658000    
 H   -4.130300       1.664900       1.487100    


%chk=000107926-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107926

0 1
Br 5.577286 1.321131 -0.760642
O 2.846376 1.121470 -2.374467
O -3.720357 -0.929119 0.378232
O -2.931933 1.249596 0.704428
N 1.266445 1.621204 -0.751899
N 0.801516 -1.093329 0.301565
N -1.267398 -2.004489 0.195507
C 0.561040 1.360869 0.544664
C -0.319320 2.621726 0.693448
C -0.684013 3.002085 -0.764077
C 0.575214 2.638767 -1.588992
C -0.098765 -0.008869 0.444232
C 2.370308 0.939475 -1.211245
C -1.382515 -0.606509 0.383654
C 2.235510 -1.054204 0.412362
C 3.005531 -0.044086 -0.240750
C 0.038213 -2.261925 0.154375
C -2.723893 0.018454 0.506097
C 2.852546 -2.067090 1.185903
C 4.411683 -0.075399 -0.038600
C -5.197355 -0.542846 0.478372
C 4.252040 -2.089291 1.324130
C 5.038092 -1.080799 0.725687
C -5.548227 0.444747 -0.652575
C -5.883569 -1.903866 0.272264
C -5.483505 0.028668 1.881507
H 1.310396 1.313318 1.359459
H 0.298967 3.413490 1.155185
H -1.214038 2.445183 1.304519
H -1.554936 2.407624 -1.086999
H -0.945126 4.068457 -0.862787
H 0.347846 2.223191 -2.586025
H 1.252400 3.500841 -1.736458
H 0.489311 -3.236229 -0.015159
H 2.231691 -2.810523 1.694784
H 4.733053 -2.871450 1.919442
H 6.122946 -1.068008 0.859128
H -5.257018 0.026396 -1.632316
H -6.641011 0.611790 -0.662004
H -5.043923 1.412656 -0.508366
H -5.564836 -2.618737 1.049645
H -5.617978 -2.324732 -0.712215
H -6.980606 -1.784355 0.325641
H -4.980714 0.996847 2.029828
H -6.573123 0.173758 1.999570
H -5.145149 -0.676989 2.660752


