%chk=000050206.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050206

0 1
 Br   4.955000      -1.852800      -1.941200    
 O  -0.1914000      -3.036700       1.789200    
 O   -5.881400       1.742800      -1.455500    
 O   -7.536300      0.5706000      0.4456000    
 O    2.741400       2.003900      -1.806600    
 N   4.8099998E-02  -1.340700      0.1930000    
 N    2.075900      -1.152700      -1.034500    
 N   0.7204000       1.583400     -0.7451000    
 C   -1.295200     -0.8216000      0.4458000    
 C   -2.352000      -1.473300     -0.4427000    
 C   0.8760000     -0.7472000     -0.7579000    
 C   0.4718000      -2.452700      0.9368000    
 C    1.838500      -2.928800      0.6351000    
 C   0.3473000      0.4455000      -1.518200    
 C   -3.737900     -0.9245000     -0.2083000    
 C    2.582500      -2.258100     -0.3388000    
 C    2.373900      -4.030100       1.312800    
 C   -4.171900      0.1650000     -0.9470000    
 C    3.876500      -2.705800     -0.6283000    
 C   -4.552500      -1.519200      0.7427000    
 C    3.664500      -4.464600       1.013900    
 C    4.415400      -3.803700      4.4300001E-02
 C   -5.452600      0.6727000     -0.7296000    
 C   -5.833200      -1.011600      0.9604000    
 C   -6.283300      8.4299996E-02  0.2241000    
 C    1.908200       2.288700     -0.9504000    
 C    2.163600       3.436800     -4.2900000E-02
 C    3.467500       3.809800      0.2090000    
 C    1.088400       4.093300      0.5192000    
 C    3.707200       4.887700       1.061300    
 C    1.328000       5.171300       1.371400    
 C    2.637400       5.568400       1.642500    
 H   -1.324000      0.2667000      0.3558000    
 H   -1.547700      -1.022000       1.495500    
 H   -2.092200      -1.361900      -1.503000    
 H   -2.359300      -2.558800     -0.2739000    
 H  -0.7301000      0.4512000      -1.671500    
 H   0.8270000      0.4881000      -2.502100    
 H    1.804400      -4.559000       2.071800    
 H   -3.520400      0.6216000      -1.687500    
 H   -4.209700      -2.371600       1.322400    
 H   0.1135000       1.831600      2.8200001E-02
 H    4.084300      -5.318900       1.537100    
 H    5.419500      -4.158300     -0.1746000    
 H   -6.475300      -1.474100       1.705200    
 H    4.311400       3.287100     -0.2312000    
 H   5.5700000E-02   3.837300      0.3072000    
 H   -5.174600       2.015900      -2.065400    
 H   -7.680400       1.326900     -0.1493000    
 H    4.726700       5.196500       1.273200    
 H   0.4952000       5.706700       1.818100    
 H    2.823900       6.408700       2.304900    


%chk=000050206-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050206

0 1
Br 5.321646 -2.818610 -1.541854
O -0.371333 -3.274051 1.817593
O -4.531730 2.827464 -1.034867
O -6.860978 1.729067 -0.146309
O -0.662801 2.384207 -1.176085
N 0.294343 -1.653706 0.252898
N 2.432130 -1.763574 -0.855066
N 1.346643 1.288587 -0.761843
C -1.024091 -0.983292 0.442970
C -2.125411 -1.548042 -0.497971
C 1.249396 -1.190158 -0.659724
C 0.519148 -2.843444 1.027682
C 1.835825 -3.478404 0.823639
C 0.978434 0.060298 -1.489181
C -3.395024 -0.711368 -0.412970
C 2.755525 -2.906146 -0.117576
C 2.167808 -4.643760 1.558789
C -3.346797 0.654404 -0.798200
C 4.020341 -3.549000 -0.282681
C -4.620187 -1.244666 0.055196
C 3.418831 -5.250680 1.370899
C 4.350014 -4.701432 0.446870
C -4.492722 1.454473 -0.697438
C -5.781155 -0.437749 0.139293
C -5.723517 0.917499 -0.235045
C 0.506483 2.386887 -0.661669
C 1.048234 3.580345 0.076048
C 0.460801 4.842894 -0.193583
C 2.090906 3.488610 1.036210
C 0.921906 5.999637 0.467426
C 2.547345 4.646870 1.701600
C 1.968885 5.905137 1.414744
H -0.897298 0.098545 0.288841
H -1.322449 -1.153132 1.490296
H -1.739421 -1.552299 -1.537882
H -2.327926 -2.597087 -0.220122
H -0.074310 0.163870 -1.793856
H 1.599693 -0.038703 -2.395743
H 1.429235 -5.041801 2.261241
H -2.413004 1.104028 -1.159231
H -4.673037 -2.295552 0.361137
H 2.318756 1.366836 -0.456870
H 3.689791 -6.150495 1.931899
H 5.325019 -5.175782 0.301545
H -6.731867 -0.842507 0.498676
H -0.353715 4.892889 -0.923165
H 2.525534 2.517967 1.304849
H -3.625299 3.161755 -1.247458
H -6.617145 2.645766 -0.441968
H 0.467235 6.971545 0.248107
H 3.343835 4.566998 2.449015
H 2.325175 6.802660 1.931893


