%chk=000060393.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060393

0 1
 Br   5.839300       1.232000      -2.682300    
 Br   3.925700       4.593500       1.452600    
 O  -0.2049000      -1.871700      0.7026000    
 O    1.867800     -0.3895000       2.154500    
 O   -2.023200      -2.675300     -0.4677000    
 N    2.661700      -1.773100      0.4412000    
 N    4.122900     -0.8859000      -1.211700    
 N   -3.487500     -0.4722000      0.1869000    
 C    1.932700      -2.933500      0.9515000    
 C    3.451500      -1.871300     -0.7027000    
 C    3.298700      0.5720000      0.5752000    
 C    2.538800     -0.5630000       1.140900    
 C   0.5429000      -3.028100      0.3489000    
 C    4.058600      0.3618000     -0.5780000    
 C    3.255700       1.831100       1.184800    
 C    3.532800      -3.208400      -1.399600    
 C    4.779100       1.433500      -1.117500    
 C   -2.136600     -0.5409000      0.6861000    
 C   -4.150900      0.7617000      0.6049000    
 C    3.978800       2.889300      0.6364000    
 C    4.739700       2.691400     -0.5137000    
 C   -1.488300      -1.819800      0.2243000    
 C   -5.552100      0.8568000      6.2300000E-02
 C   -5.768400       1.459500      -1.169000    
 C   -6.607600      0.3408000      0.8009000    
 C   -7.066500       1.547800      -1.671800    
 C   -7.905700      0.4291000      0.2981000    
 C   -8.135200       1.032500     -0.9383000    
 H    1.843300      -2.831600       2.039900    
 H    2.488300      -3.856100      0.7659000    
 H   3.8600001E-02  -3.918100      0.7427000    
 H   0.5887000      -3.101800     -0.7424000    
 H    2.662500       1.989300       2.082100    
 H    4.093200      -3.108700      -2.334800    
 H    4.062400      -3.924600     -0.7651000    
 H    2.542000      -3.594900      -1.641400    
 H   -3.578200       1.634100      0.2637000    
 H   -4.182600      0.8270000       1.700500    
 H   -2.124200     -0.5293000       1.781700    
 H   -1.540500      0.2935000      0.3000000    
 H    5.302900       3.519300     -0.9392000    
 H   -4.019200      -1.271600      0.5323000    
 H   -4.943200       1.862500      -1.749400    
 H   -6.439700     -0.1328000       1.764100    
 H   -7.245200       2.017200      -2.634700    
 H   -8.737800      2.7500000E-02  0.8690000    
 H   -9.145900       1.101100      -1.329900    


%chk=000060393-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060393

0 1
Br 6.882132 1.217482 -0.800654
Br 2.991185 4.683935 1.703641
O -0.162353 -1.841482 -1.303342
O 0.798777 -0.422547 1.226700
O -1.778577 -2.668195 0.165461
N 2.432067 -1.777508 0.209703
N 4.595021 -0.913717 -0.405933
N -3.384311 -0.396156 -0.345048
C 1.469737 -2.910535 0.245550
C 3.729915 -1.916191 -0.323671
C 2.929341 0.581345 0.646942
C 1.960794 -0.528007 0.732410
C 0.649813 -3.054436 -1.050638
C 4.216697 0.345873 0.063350
C 2.553045 1.856926 1.136909
C 4.180868 -3.276879 -0.802311
C 5.116443 1.454280 -0.015318
C -1.968424 -0.372482 -0.720026
C -3.991324 0.935139 -0.169029
C 3.471095 2.907549 1.039098
C 4.755870 2.723124 0.464154
C -1.346104 -1.742671 -0.555150
C -5.493712 0.855638 0.081480
C -6.282252 -0.146301 -0.539000
C -6.128516 1.806723 0.919001
C -7.678949 -0.189990 -0.330269
C -7.526652 1.768716 1.123728
C -8.307365 0.768830 0.498884
H 0.783896 -2.730082 1.089007
H 2.017083 -3.848424 0.433256
H -0.014450 -3.933057 -0.959983
H 1.284728 -3.143171 -1.945893
H 1.559371 1.980100 1.575565
H 5.181012 -3.156457 -1.241103
H 4.251131 -3.999562 0.032464
H 3.506460 -3.706866 -1.563717
H -3.806847 1.508271 -1.102741
H -3.514286 1.527215 0.652282
H -1.338604 0.306260 -0.087716
H -1.839001 -0.036606 -1.766177
H 5.457506 3.557883 0.395470
H -3.566362 -1.040033 0.436108
H -5.782385 -0.885065 -1.174374
H -5.526458 2.578860 1.414985
H -8.277519 -0.970807 -0.813764
H -8.003509 2.510941 1.774177
H -9.390824 0.734235 0.660330


