%chk=000003796.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003796

0 1
 Br   4.732300      -1.643100      -2.353000    
 Br   5.518200       2.351500       1.699000    
 O   -3.670500       2.443700     -0.3283000    
 O   -5.486200      0.3450000     -0.4708000    
 O    6.252200      0.3801000     -0.5712000    
 N   0.8143000      0.2549000      0.6071000    
 N   -1.991400      -2.778600      0.3716000    
 N   0.2770000      -2.034000      0.6979000    
 C   -1.486000     -0.4363000      0.2710000    
 C   -2.392800      -1.506500      0.2021000    
 C  -0.1587000     -0.7721000      0.5233000    
 C   -1.917100      0.8897000      9.2100002E-02
 C   -3.259500       1.157300     -0.1575000    
 C   -3.730400      -1.209900     -4.8799999E-02
 C   -4.167000      0.1061000     -0.2279000    
 C    2.185900      0.2866000      0.3099000    
 C    3.039100       1.142500       1.012900    
 C    2.708500     -0.5377000     -0.6914000    
 C  -0.6785000      -2.973300      0.6099000    
 C    4.071400     -0.5063000     -0.9867000    
 C    4.402000       1.173900      0.7176000    
 C    4.918100      0.3495000     -0.2822000    
 C   -3.655500       2.958700      -1.658700    
 C   -6.325500      0.5580000      0.6624000    
 H   -1.226800       1.728200      0.1355000    
 H   -4.455200      -2.020500     -0.1083000    
 H   0.5072000       1.044000       1.169200    
 H    2.633000       1.783600       1.792800    
 H    2.052200      -1.197300      -1.254700    
 H  -0.3615000      -4.000200      0.7453000    
 H   -2.637100       2.953400      -2.060100    
 H   -4.015200       3.990900      -1.630500    
 H   -4.317800       2.374600      -2.305500    
 H   -6.333600     -0.3277000       1.305400    
 H   -7.342800      0.7407000      0.3057000    
 H   -5.991700       1.432200       1.230500    
 H    6.427200     -0.2546000      -1.287300    


%chk=000003796-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003796

0 1
Br 5.514602 -2.645628 -0.224259
Br 5.362730 3.091895 0.649206
O -3.762041 2.503408 0.038200
O -5.642070 0.278311 -0.204501
O 6.591757 0.295805 0.264824
N 0.925784 0.229574 0.036402
N -1.936985 -2.819499 -0.493589
N 0.376150 -2.055416 -0.304266
C -1.435244 -0.402623 -0.174649
C -2.363559 -1.496858 -0.344644
C -0.021697 -0.766873 -0.150614
C -1.946976 0.923592 -0.064415
C -3.323073 1.169944 -0.090479
C -3.764540 -1.232230 -0.341328
C -4.249411 0.068108 -0.191665
C 2.342675 0.159331 0.083231
C 3.039442 1.380762 0.298007
C 3.080509 -1.043322 -0.072355
C -0.608408 -3.008029 -0.469559
C 4.479344 -0.983543 -0.010192
C 4.440971 1.401200 0.354311
C 5.207202 0.217019 0.200990
C -4.530837 3.029340 -1.118830
C -6.202261 0.857383 1.042883
H -1.305083 1.808507 0.018800
H -4.459519 -2.069844 -0.440832
H 0.550363 1.168709 0.172841
H 2.489379 2.320094 0.421844
H 2.537254 -1.975555 -0.233104
H -0.247991 -4.034303 -0.591579
H -3.879097 3.077194 -2.011144
H -4.840060 4.043010 -0.823919
H -5.411522 2.397662 -1.329009
H -6.083133 0.138347 1.874457
H -7.270509 1.015904 0.833864
H -5.707915 1.812510 1.294734
H 6.991572 -0.606890 0.138641


