%chk=000039573.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039573

0 1
 Br   6.555200     -0.8219000      3.8699999E-02
 O  -0.5373000       4.556100     -7.4000001E-02
 O    1.637200       3.542700      0.1163000    
 O   0.1557000      -3.106500     -5.8499999E-02
 N  -0.5088000     -0.9467000     -2.4300000E-02
 N   -4.630300      -1.228000      0.3760000    
 C   -2.566800     -1.7400000E-02 -6.7500003E-02
 C   -1.869700      -1.203800     -1.4500000E-02
 C   -2.536800      -2.541000      1.8300001E-02
 C   -4.058800      4.4700000E-02 -0.1184000    
 C   -1.620900       1.036300     -8.2099997E-02
 C   -4.037100      -2.393000     -0.3126000    
 C  -0.3406000      0.4472000     -1.6799999E-02
 C   -1.755500       2.444600     -0.1219000    
 C   0.8194000       1.246300      8.2800001E-02
 C   -6.084200      -1.221100      0.2136000    
 C   0.5059000      -1.930300     -1.9600000E-02
 C  -0.5981000       3.195700     -6.0100000E-02
 C   0.6382000       2.617800      4.5899998E-02
 C    1.954200      -1.666500     -5.5999998E-03
 C   0.8840000       4.768800      3.4200002E-02
 C    2.628200      -1.547000       1.208700    
 C    2.649100      -1.534900      -1.207100    
 C    4.000000      -1.295300       1.221900    
 C    4.021100      -1.283300      -1.194100    
 C    4.696600      -1.163500      2.0500001E-02
 H   -2.103900      -3.227500     -0.7158000    
 H   -2.420000      -2.976100       1.018100    
 H   -4.411000      0.8699000      0.5117000    
 H   -4.372000      0.2444000      -1.151300    
 H   -4.171200      -2.299200      -1.399200    
 H   -4.541500      -3.317500     -5.2999998E-03
 H   -2.730400       2.917200     -0.1806000    
 H    1.818400      0.8500000      0.1679000    
 H   -6.527700     -0.3776000      0.7543000    
 H   -6.522700      -2.130800      0.6383000    
 H   -6.382700      -1.152800     -0.8388000    
 H    1.223200       5.331700     -0.8430000    
 H    1.082800       5.363900      0.9329000    
 H    2.094400      -1.647200       2.150200    
 H    2.131700      -1.625400      -2.158600    
 H    4.511000      -1.204100       2.176900    
 H    4.548700      -1.182600      -2.139000    


%chk=000039573-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000039573

0 1
Br 6.461853 -1.430436 -1.099907
O -0.624964 4.726672 -0.276254
O 1.532737 3.838447 0.300213
O 0.183616 -2.769340 1.552490
N -0.460879 -0.819266 0.441544
N -4.629868 -1.304175 0.088423
C -2.550698 0.000756 -0.033299
C -1.847864 -1.145553 0.284498
C -2.457661 -2.515990 0.354534
C -4.030302 -0.006283 -0.307869
C -1.624152 1.117548 -0.049073
C -3.827766 -2.467389 -0.364967
C -0.318648 0.597160 0.256690
C -1.826714 2.512547 -0.258776
C 0.814280 1.434685 0.424720
C -6.047603 -1.391469 -0.303264
C 0.517231 -1.763561 0.860609
C -0.697312 3.316786 -0.125905
C 0.576150 2.793575 0.211770
C 1.930164 -1.583313 0.394732
C 0.790298 5.089167 -0.006504
C 2.973887 -2.074210 1.220396
C 2.242926 -1.069067 -0.890498
C 4.315685 -2.023083 0.792034
C 3.579434 -1.029506 -1.340323
C 4.601524 -1.498660 -0.487620
H -1.809468 -3.278737 -0.116117
H -2.589719 -2.825286 1.406986
H -4.534262 0.798868 0.264005
H -4.209692 0.217070 -1.395725
H -3.664269 -2.449168 -1.474394
H -4.395549 -3.385713 -0.129767
H -2.808035 2.931025 -0.493798
H 1.804932 1.072997 0.698754
H -6.604573 -0.539388 0.127278
H -6.488213 -2.322032 0.095875
H -6.205478 -1.379104 -1.412394
H 1.222396 5.549363 -0.912246
H 0.829891 5.754822 0.873287
H 2.719781 -2.504716 2.194217
H 1.445134 -0.708566 -1.547303
H 5.120031 -2.389406 1.435661
H 3.818737 -0.641771 -2.334213


