%chk=000106141.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106141

0 1
 Br  -3.709300      0.4425000       2.818100    
 Br  -3.681500      0.1644000      -2.935100    
 O    5.638300      -2.897600      0.4059000    
 O    4.691700       3.611400     -0.4968000    
 O    5.529500      -4.354300      -1.383700    
 O    4.214100       4.963200       1.314800    
 O   -8.676600     -0.3033000       1.045500    
 O   -8.666000     -0.4082000      -1.147200    
 N    3.620400      0.1320000     -4.8500001E-02
 N   -1.925400     -0.6485000     -3.8999999E-03
 N   -2.503200      0.4618000     -6.0400002E-02
 N   -8.068600     -0.2760000     -5.1700000E-02
 C    4.502400     -0.7958000      0.6316000    
 C    4.190300       1.276400     -0.7313000    
 C    2.224500     -6.9200002E-02 -3.4699999E-02
 C    4.744600      -2.007200     -0.2502000    
 C    4.099500       2.499600      0.1628000    
 C    1.684900      -1.172900      0.6261000    
 C    1.383500      0.8368000     -0.6808000    
 C   0.3040000      -1.370500      0.6404000    
 C  -0.5372000     -0.4649000     -6.2000002E-03
 C   2.6000000E-03  0.6389000     -0.6666000    
 C  -0.2507000      -2.559600       1.354500    
 C    5.948200      -4.040600     -0.2777000    
 C    4.680900       4.789700      0.1971000    
 C   -3.896400      0.2770000     -5.8300000E-02
 C    6.893600      -4.877100      0.5301000    
 C    5.334600       5.865800     -0.6157000    
 C   -4.592500      0.2440000       1.149400    
 C   -4.580700      0.1272000      -1.263800    
 C   -6.660800     -8.9299999E-02 -5.3800002E-02
 C   -5.975300      6.0300000E-02   1.151800    
 C   -5.963500     -5.5900000E-02  -1.261600    
 H    5.471200     -0.3171000      0.8311000    
 H    4.151700      -1.073200       1.633000    
 H    5.250100       1.091600     -0.9554000    
 H    3.754100       1.452500      -1.721900    
 H    5.192300      -1.689200      -1.200500    
 H    3.815200      -2.539000     -0.4787000    
 H    4.637600       2.313500       1.101100    
 H    3.062000       2.744700      0.4132000    
 H    2.297800      -1.901000       1.145800    
 H    1.739200       1.709100      -1.217800    
 H  -0.6117000       1.357700      -1.203400    
 H  -0.8032000      -3.198600      0.6575000    
 H  -0.9213000      -2.241200       2.159500    
 H   0.5357000      -3.173000       1.807100    
 H    6.423900      -5.157800       1.476200    
 H    7.818600      -4.323000      0.7085000    
 H    7.134700      -5.789200     -2.3399999E-02
 H    4.784900       6.010500      -1.549100    
 H    6.374300       5.597000     -0.8184000    
 H    5.320200       6.804200     -5.3900000E-02
 H   -6.503200      3.6600001E-02   2.102700    
 H   -6.482400     -0.1711000      -2.210800    


%chk=000106141-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106141

0 1
Br -3.860330 -0.459961 2.685106
Br -4.173614 0.320984 -3.141222
O 5.830513 -2.816523 0.517634
O 4.835773 3.612299 -0.597294
O 6.163167 -4.137889 -1.371290
O 4.827473 4.971932 1.293484
O -9.015367 -0.064700 1.233031
O -9.166381 0.276394 -1.022470
N 3.586388 0.131540 -0.015894
N -2.002168 -0.785148 0.159851
N -2.794992 0.081439 -0.423297
N -8.486323 0.084394 0.061555
C 4.526301 -0.798011 0.641749
C 4.183943 1.297655 -0.697242
C 2.205807 -0.077889 0.009536
C 4.896338 -1.977341 -0.276457
C 4.221559 2.534117 0.219702
C 1.642059 -1.246020 0.620745
C 1.301358 0.874787 -0.577887
C 0.257196 -1.475892 0.666146
C -0.623379 -0.506866 0.075195
C -0.073373 0.657068 -0.543237
C -0.294153 -2.727234 1.318779
C 6.404189 -3.905304 -0.167785
C 5.083822 4.822367 0.079869
C -4.183112 -0.058441 -0.244624
C 7.287366 -4.713309 0.754711
C 5.657024 5.857625 -0.860040
C -4.853694 -0.222156 1.013458
C -5.020702 0.146278 -1.389850
C -7.016370 0.032722 -0.046200
C -6.250891 -0.169278 1.122259
C -6.415855 0.186742 -1.316236
H 5.446415 -0.247180 0.904056
H 4.104360 -1.175258 1.588965
H 5.215683 1.044336 -0.997678
H 3.636085 1.532611 -1.625422
H 5.397391 -1.641041 -1.202207
H 4.014568 -2.578283 -0.561258
H 4.832702 2.362102 1.124280
H 3.212091 2.846754 0.540833
H 2.294630 -2.000634 1.068317
H 1.678663 1.783608 -1.053678
H -0.765418 1.378290 -0.989933
H -0.832888 -3.350821 0.583263
H -1.030441 -2.474038 2.101070
H 0.512889 -3.330675 1.767913
H 6.691354 -5.523809 1.213018
H 7.696250 -4.089032 1.563408
H 8.100026 -5.177085 0.175024
H 4.856629 6.558251 -1.160277
H 6.073252 5.391336 -1.764932
H 6.430587 6.442371 -0.337294
H -6.759836 -0.282758 2.081998
H -7.042960 0.328671 -2.198751


