%chk=000096543.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096543

0 1
 Br   1.785100      -3.873000      -1.550400    
 O  -0.1846000      0.3422000      -1.568300    
 O   -1.219200      -2.694800      2.0400001E-02
 O   -3.052500     -0.2630000      0.5177000    
 O  -0.7247000       2.979900     -0.8059000    
 O   -2.484700      -2.500300       1.943300    
 O   -4.413300      0.9074000     -0.9367000    
 O  -0.8123000       4.248800       1.122700    
 N    1.465800      -1.107700     -0.6766000    
 N    3.483500      -1.977300     -0.2911000    
 N    1.795100       1.122400      0.2290000    
 N    4.056100       1.399800       1.104700    
 N    5.682900     -0.3539000       1.041100    
 C  -0.9428000      -1.306900     -3.6499999E-02
 C   -2.138600     -0.5206000     -0.5289000    
 C   7.8100003E-02  -1.000400      -1.120400    
 C   -1.495800      0.7343000      -1.111400    
 C   -1.341900       1.893300     -0.1346000    
 C    2.195900     -0.1213000     -7.5099997E-02
 C    2.283300      -2.202700     -0.7833000    
 C    3.442900     -0.6801000      0.1549000    
 C   -2.197100      -3.067600      0.8981000    
 C   -4.155800      0.4674000      0.1756000    
 C    4.392000      0.1309000      0.7690000    
 C   -2.888300      -4.297800      0.3932000    
 C  -0.5159000       4.105900     -5.5799998E-02
 C   -5.030000      0.6605000       1.377600    
 C    2.797100       1.810600      0.8181000    
 C   0.1397000       5.163900     -0.8906000    
 H  -0.6053000     -0.9594000      0.9491000    
 H   -2.648000      -1.094100      -1.316400    
 H  -4.1400000E-02  -1.652700      -1.992400    
 H   -2.040800       1.081600      -1.996300    
 H  -0.7234000       1.600500      0.7204000    
 H   -2.311300       2.234800      0.2378000    
 H   -3.360800      -4.087300     -0.5695000    
 H   -3.663600      -4.596100       1.104700    
 H   -2.168800      -5.115000      0.2991000    
 H   -4.483900       1.212400       2.146700    
 H   -5.355900     -0.3107000       1.758100    
 H   -5.914100       1.238800       1.094300    
 H    2.562600       2.831700       1.099800    
 H    5.935900      -1.300600      0.7923000    
 H    6.354600      0.2546000       1.488800    
 H  -0.5058000       5.423400      -1.733400    
 H    1.110300       4.806900      -1.243800    
 H   0.2974000       6.059700     -0.2831000    


%chk=000096543-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096543

0 1
Br 1.974188 -2.897172 -3.036239
O -0.387222 0.297653 -1.945521
O -1.807309 -2.482304 -0.115648
O -3.105339 0.270150 0.564290
O -0.570739 3.203018 -1.234245
O -0.165177 -3.120243 1.419515
O -4.837712 0.912243 -0.860218
O -0.945979 4.717698 0.500248
N 1.213935 -1.133121 -0.824481
N 3.434869 -1.753549 -0.833927
N 1.237654 0.314674 1.209586
N 3.460840 0.416920 2.253103
N 5.336726 -0.729792 1.387854
C -1.234922 -1.121165 -0.158494
C -2.326489 -0.150259 -0.615898
C -0.167913 -1.005227 -1.281062
C -1.551448 1.001061 -1.317979
C -1.111100 2.116538 -0.374168
C 1.812242 -0.505959 0.286537
C 2.259990 -1.855248 -1.447408
C 3.171568 -0.905469 0.260972
C -1.183752 -3.403714 0.758183
C -4.392349 0.789526 0.300015
C 4.010443 -0.412386 1.301172
C -1.934112 -4.713848 0.745891
C -0.523578 4.477115 -0.653666
C -5.078660 1.160757 1.591537
C 2.135731 0.728687 2.157104
C 0.118577 5.467354 -1.599676
H -0.823197 -0.845470 0.827436
H -3.002760 -0.635784 -1.341805
H -0.328182 -1.799343 -2.032590
H -2.127805 1.429551 -2.153544
H -0.324872 1.778775 0.324988
H -1.964847 2.510284 0.205634
H -2.952866 -4.568032 1.145772
H -1.399491 -5.452121 1.359995
H -2.038390 -5.086412 -0.287291
H -4.546429 2.002879 2.069146
H -5.052569 0.315031 2.298843
H -6.118180 1.454486 1.388712
H 1.744943 1.392433 2.933637
H 5.761258 -1.344775 0.696721
H 5.884867 -0.348037 2.156144
H -0.039278 5.172773 -2.648190
H 1.207745 5.494002 -1.412020
H -0.285207 6.474223 -1.412965


