%chk=000030051.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030051

0 1
 Br  -2.521400      -2.727200       1.263600    
 Br  -2.428600       2.787300     -0.4367000    
 O   0.8296000      0.5474000       1.180400    
 O  -3.2099999E-02  0.7654000     -0.9267000    
 N    4.159800     -6.3299999E-02 -0.2767000    
 N   -1.364300      0.1616000      0.9011000    
 C    2.834500     -0.3749000      0.2577000    
 C    4.829900      -1.283500     -0.7247000    
 C    4.968200      0.6238000      0.7297000    
 C    2.115900      0.8950000      0.6849000    
 C    4.003500      -2.011000      -1.771600    
 C    6.327600       1.009900      0.1719000    
 C  -0.1917000      0.5139000      0.2615000    
 C   -2.651500      9.4999997E-03  0.3372000    
 C   -3.306100      -1.219700      0.4153000    
 C   -3.267100       1.088500     -0.2972000    
 C   -4.576500      -1.369900     -0.1409000    
 C   -4.537500      0.9381000     -0.8534000    
 C   -5.192200     -0.2909000     -0.7753000    
 H    2.887500      -1.075100       1.102500    
 H    2.198900     -0.8506000     -0.4959000    
 H    5.780300      -1.044000      -1.212500    
 H    5.047200      -1.962600      0.1094000    
 H    4.514700       1.575200       1.020600    
 H    5.094600      2.2700001E-02   1.638700    
 H    2.054400       1.633700     -0.1238000    
 H    2.603400       1.383800       1.531900    
 H    3.152700      -2.545600      -1.337800    
 H    3.641200      -1.331400      -2.550700    
 H    4.624000      -2.767900      -2.265000    
 H    7.000100      0.1519000      7.7000000E-02
 H    6.242100       1.505200     -0.8014000    
 H    6.817700       1.714400      0.8537000    
 H   -1.222200     -0.3310000       1.780200    
 H   -5.102900      -2.319700     -9.0599999E-02
 H   -5.033800       1.766900      -1.352000    
 H   -6.181200     -0.4079000      -1.208500    


%chk=000030051-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000030051

0 1
Br -2.537060 -1.648788 2.613665
Br -2.488484 2.192069 -1.805418
O 0.785436 1.171345 0.931193
O -0.000995 0.095244 -1.018069
N 4.233081 -0.185876 0.097032
N -1.410447 0.654212 0.798096
C 2.853805 -0.211221 0.639829
C 4.440186 -1.094879 -1.058651
C 5.300348 -0.247218 1.127926
C 2.171103 1.144666 0.372429
C 3.624925 -0.685658 -2.300721
C 6.628692 0.387728 0.670826
C -0.195242 0.587363 0.117364
C -2.627907 0.134068 0.288923
C -3.313345 -0.914101 0.967541
C -3.246082 0.646838 -0.887645
C -4.526895 -1.451786 0.500492
C -4.443239 0.100152 -1.393118
C -5.080977 -0.948656 -0.697088
H 2.854809 -0.409313 1.730692
H 2.253543 -1.013062 0.166254
H 5.514320 -1.073840 -1.317126
H 4.195578 -2.154198 -0.786915
H 4.937544 0.309117 2.012485
H 5.487703 -1.298441 1.467434
H 2.127625 1.346074 -0.710555
H 2.688607 1.964640 0.893601
H 2.537470 -0.690406 -2.104353
H 3.911124 0.329467 -2.629259
H 3.818476 -1.390327 -3.130944
H 7.083620 -0.159218 -0.174319
H 6.459488 1.430968 0.351443
H 7.359589 0.383154 1.500950
H -1.359986 0.935336 1.780043
H -5.019906 -2.256755 1.051553
H -4.882423 0.507605 -2.307536
H -6.015384 -1.368303 -1.082156


