%chk=000043300.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043300

0 1
 Br  -6.113600     -0.5614000      0.3593000    
 O    2.630600       1.873700     -0.3743000    
 N    2.937000     -0.2147000      0.6099000    
 C    4.358200     -0.2919000      0.4267000    
 C    4.938200     -0.7801000     -0.8611000    
 C    5.051000      -1.615400      0.3804000    
 C    2.194300      0.8736000      0.1878000    
 C   0.7260000      0.7164000      0.4337000    
 C  -8.1200004E-02  0.1548000     -0.4951000    
 C   0.2889000       1.246200       1.768900    
 C   -1.538400     -1.8700000E-02 -0.2904000    
 C   0.3973000     -0.3279000      -1.841100    
 C   -2.395500      0.9908000     -0.6837000    
 C   -1.999500      -1.184700      0.2897000    
 C   -3.767100      0.8281000     -0.4893000    
 C   -3.371200      -1.347500      0.4840000    
 C   -4.255100     -0.3411000      9.4499998E-02
 H    4.885500      0.5090000      0.9353000    
 H    5.834900     -0.2956000      -1.227300    
 H    4.263900      -1.121300      -1.637200    
 H    4.453500      -2.517100      0.4350000    
 H    6.024500      -1.693800      0.8486000    
 H    2.474300      -1.000000       1.060400    
 H   0.7848000      0.6949000       2.575000    
 H  -0.7883000       1.171800       1.938200    
 H   0.5592000       2.303700       1.861300    
 H   0.2135000      -1.402900      -1.947500    
 H  -0.1333000      0.1922000      -2.646600    
 H    1.465700     -0.1668000      -2.008300    
 H   -2.026300       1.905700      -1.138900    
 H   -1.319800      -1.974700      0.5971000    
 H   -4.442300       1.622100     -0.7980000    
 H   -3.735000      -2.264500      0.9405000    


%chk=000043300-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000043300

0 1
Br -6.341606 -0.334000 0.152715
O 2.763105 2.003389 0.044212
N 2.972959 -0.281324 0.431760
C 4.420028 -0.272872 0.363172
C 5.136354 -0.561982 -0.965140
C 5.149919 -1.601331 0.170448
C 2.222524 0.876556 0.270863
C 0.725612 0.737281 0.478756
C -0.061841 -0.058108 -0.317365
C 0.227867 1.627387 1.606628
C -1.555777 -0.111362 -0.168751
C 0.474712 -0.904098 -1.468659
C -2.350639 1.063238 -0.260335
C -2.221973 -1.354907 0.001748
C -3.759400 1.008536 -0.168556
C -3.628420 -1.429466 0.105815
C -4.382638 -0.241601 0.018728
H 4.882439 0.482660 1.006701
H 6.050038 -0.002503 -1.180717
H 4.508330 -0.769977 -1.835715
H 4.547088 -2.505367 0.031275
H 6.076193 -1.762292 0.727971
H 2.491465 -1.136172 0.716910
H 0.816266 1.447373 2.526709
H -0.835482 1.460795 1.836881
H 0.377974 2.691072 1.344220
H 0.301591 -1.984603 -1.294342
H -0.061458 -0.649904 -2.402066
H 1.551764 -0.751487 -1.637187
H -1.863175 2.029983 -0.425017
H -1.639757 -2.280629 0.072700
H -4.355423 1.922257 -0.248158
H -4.123940 -2.393641 0.251297


