%chk=000063959.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063959

0 1
 Br   5.145600       3.061000      -1.341400    
 Br   7.100700      -2.235400     -0.9096000    
 O   -2.202200     -7.1500003E-02  0.9419000    
 O    2.128600      -2.021900       1.278800    
 N    1.328000      0.1708000       1.100100    
 N    2.676600       1.840800      7.7000000E-02
 N  -0.8528000      -1.418800     -0.2279000    
 N   -2.107900      -1.464900     -0.8057000    
 C   6.4999998E-02 -0.1676000       1.754300    
 C    3.526900     -0.4489000      0.2606000    
 C    1.581600       1.469600      0.6634000    
 C    2.270900     -0.8541000      0.9274000    
 C    3.675700      0.8823000     -0.1366000    
 C  -0.9807000     -0.6044000      0.7630000    
 C    4.544500      -1.382200      3.2900002E-02
 C   0.5161000       2.516700      0.8861000    
 C    4.862600       1.270200     -0.7688000    
 C   -2.862600     -0.6639000     -9.0400003E-02
 C    5.721300     -0.9812000     -0.5978000    
 C   -4.248700     -0.3227000     -0.2278000    
 C    5.880700      0.3435000     -0.9988000    
 C   -4.847900      0.5702000      0.6673000    
 C   -5.014300     -0.8799000      -1.257700    
 C   -6.953600      0.3426000     -0.4952000    
 C   -6.196200      0.9019000      0.5339000    
 C   -6.362500     -0.5483000      -1.391100    
 C   -8.395400      0.6964000     -0.6380000    
 H  -0.3007000      0.6705000       2.353800    
 H   0.2313000     -0.9978000       2.451100    
 H    4.423500      -2.416900      0.3441000    
 H   0.4073000       2.714600       1.956000    
 H  -0.4415000       2.194900      0.4710000    
 H   0.8015000       3.452700      0.3954000    
 H    6.800200      0.6531000      -1.491000    
 H   -4.291200       1.026500       1.482200    
 H   -4.575500      -1.577200      -1.967900    
 H   -6.646100       1.595800       1.239100    
 H   -6.942700     -0.9920000      -2.195900    
 H   -9.012500     -5.2999998E-03 -6.8200000E-02
 H   -8.591400       1.710900     -0.2749000    
 H   -8.707200      0.6664000      -1.687500    


%chk=000063959-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063959

0 1
Br 5.170287 0.325684 -2.575504
Br 4.311130 -4.462495 0.549038
O -1.874461 1.057807 1.034755
O 0.919098 -0.442063 2.439801
N 1.308190 1.449176 1.098948
N 2.961904 1.465839 -0.644962
N -1.610550 3.253003 0.491290
N -2.863540 2.805040 -0.056468
C 0.234167 2.152292 1.858009
C 2.586937 -0.594440 0.679402
C 2.033380 2.088925 0.067780
C 1.555837 0.087857 1.482597
C 3.246973 0.126143 -0.369717
C -1.064979 2.211384 1.118710
C 2.891510 -1.948856 0.965032
C 1.759257 3.545201 -0.214010
C 4.230740 -0.579110 -1.130996
C -2.989895 1.510934 0.276454
C 3.862677 -2.591997 0.190739
C -4.066938 0.581597 -0.031114
C 4.540171 -1.921418 -0.860923
C -4.026568 -0.764619 0.420172
C -5.180356 1.031699 -0.793130
C -6.200465 -1.207272 -0.653895
C -5.084635 -1.640817 0.109479
C -6.228186 0.144544 -1.094683
C -7.323106 -2.162528 -1.010959
H 0.549243 3.180408 2.087433
H 0.102301 1.585281 2.796072
H 2.358550 -2.448346 1.778462
H 2.086255 4.183910 0.629403
H 0.689142 3.753813 -0.389609
H 2.339976 3.826474 -1.103342
H 5.295040 -2.442210 -1.454979
H -3.173527 -1.113458 1.010908
H -5.206751 2.071675 -1.133957
H -5.046058 -2.677156 0.464380
H -7.083648 0.501151 -1.680323
H -7.191992 -2.557781 -2.037186
H -7.355236 -3.027337 -0.326371
H -8.306872 -1.661435 -0.979534


