%chk=000099677.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099677

0 1
 Br  -3.885000       2.509500     -0.6262000    
 O   0.5463000      -1.182600      -2.045700    
 N  -0.7053000      -2.458100      0.9000000    
 C  -0.9188000     -0.3763000     -0.3584000    
 C    1.614900     -5.3700000E-02 -0.3397000    
 C   0.4129000     -0.5763000     -0.9693000    
 C   -1.428400      -1.300000      0.5376000    
 C   -1.631100      0.7571000     -0.7133000    
 C   -2.688200      -1.084600       1.096100    
 C    1.525600      0.6358000      0.8696000    
 C    2.857300     -0.2416000     -0.9452000    
 C   -2.891000      0.9725000     -0.1549000    
 C   -3.419500      5.1700000E-02  0.7498000    
 C    2.678800       1.137400       1.473300    
 C    4.010500      0.2598000     -0.3415000    
 C    3.921200      0.9494000      0.8678000    
 H   -1.213200       1.469800      -1.420200    
 H   -3.112200      -1.794200       1.802100    
 H   0.5822000      0.8067000       1.378700    
 H    2.958700     -0.7744000      -1.886900    
 H   -4.399900      0.2043000       1.193600    
 H    2.609900       1.674300       2.414900    
 H    4.978100      0.1135000     -0.8127000    
 H    4.819000       1.339900       1.337800    
 H   -1.104000      -3.112500       1.560300    
 H   0.2092000      -2.639300      0.5097000    


%chk=000099677-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000099677

0 1
Br -3.036001 2.925318 0.084303
O 0.974733 -2.316603 -0.253321
N -1.476658 -3.051908 0.323939
C -0.773073 -0.699863 0.129393
C 1.758245 -0.082365 0.078689
C 0.645905 -1.089252 -0.030054
C -1.793142 -1.713183 0.328351
C -1.176145 0.669189 0.048746
C -3.147361 -1.293782 0.532438
C 1.763185 0.962437 1.042586
C 2.899026 -0.263206 -0.749203
C -2.513349 1.034197 0.220099
C -3.508445 0.057808 0.482463
C 2.879270 1.819979 1.157920
C 4.003367 0.606050 -0.646533
C 3.996158 1.652591 0.307233
H -0.427479 1.431174 -0.179626
H -3.918408 -2.052654 0.709212
H 0.916511 1.080914 1.726811
H 2.901592 -1.095214 -1.460751
H -4.551489 0.355215 0.626564
H 2.878475 2.612662 1.913992
H 4.870518 0.466910 -1.301265
H 4.857326 2.324611 0.392972
H -2.189565 -3.753235 0.510708
H -0.505195 -3.299691 0.081633


