%chk=000063960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063960

0 1
 Br   5.349600       3.115100      -1.396500    
 Br   7.438300      -2.123900     -0.8949000    
 O   -1.883200     -0.1592000      0.9448000    
 O    2.478900      -1.997200       1.328900    
 O   -7.944200      0.3999000     -0.7160000    
 N    1.622900      0.1720000       1.121100    
 N    2.922200       1.857700      6.0800001E-02
 N  -0.4809000      -1.479300     -0.1933000    
 N   -1.725600      -1.564400     -0.7887000    
 C   0.3737000     -0.1867000       1.790600    
 C    3.830100     -0.4070000      0.2745000    
 C    1.841100       1.469400      0.6618000    
 C    2.589700     -0.8320000      0.9575000    
 C    3.943100      0.9208000     -0.1454000    
 C  -0.6439000     -0.6596000      0.7898000    
 C    4.868800      -1.318600      5.3800002E-02
 C   0.7518000       2.493400      0.8758000    
 C    5.115200       1.327500     -0.7930000    
 C    6.030600     -0.8990000     -0.5924000    
 C    6.154200      0.4225000      -1.015900    
 C   -2.512100     -0.7781000     -9.1499999E-02
 C   -3.904800     -0.4758000     -0.2519000    
 C   -4.540800      0.4081000      0.6265000    
 C   -4.639700      -1.062300      -1.287800    
 C   -5.895400      0.7020000      0.4707000    
 C   -5.994400     -0.7684000      -1.443600    
 C   -6.622200      0.1137000     -0.5642000    
 C   -8.523100       1.309400      0.2184000    
 H  -1.5799999E-02  0.6511000       2.374700    
 H   0.5603000      -1.004200       2.496700    
 H    4.775800      -2.350800      0.3825000    
 H   0.6429000       2.702800       1.943500    
 H  -0.1995000       2.143900      0.4691000    
 H    1.012700       3.429500      0.3719000    
 H    7.062100      0.7466000      -1.520200    
 H   -4.007400      0.8860000       1.444800    
 H   -4.171900      -1.753100      -1.985500    
 H   -6.320400       1.395300       1.188500    
 H   -6.555500      -1.229700      -2.251600    
 H   -8.067900       2.303200      0.1476000    
 H   -8.494200      0.9113000       1.238400    
 H   -9.578500       1.421600     -5.0999999E-02


%chk=000063960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063960

0 1
Br 5.285226 -0.515315 -2.546329
Br 4.117397 -4.507165 1.469931
O -1.533319 1.505574 0.887465
O 1.140095 0.089409 2.579249
O -7.140377 -1.462605 -0.625325
N 1.648123 1.643631 0.889752
N 3.243320 1.172974 -0.845761
N -1.139270 3.567872 0.004856
N -2.430641 3.126566 -0.453056
C 0.657022 2.571764 1.507411
C 2.734439 -0.548758 0.860992
C 2.393792 2.003075 -0.255665
C 1.790267 0.366013 1.528739
C 3.420918 -0.108087 -0.317868
C -0.649708 2.602330 0.781145
C 2.930044 -1.844043 1.402124
C 2.238265 3.396209 -0.813079
C 4.316306 -1.033585 -0.939882
C 3.818008 -2.709956 0.755822
C 4.517644 -2.320281 -0.416037
C -2.633443 1.909752 0.078535
C -3.768742 1.016595 -0.071800
C -3.795308 -0.251324 0.565038
C -4.875918 1.418387 -0.876225
C -4.899566 -1.110801 0.407899
C -5.976947 0.569366 -1.036163
C -5.995237 -0.700102 -0.395926
C -7.226513 -2.786115 0.004540
H 1.063075 3.593252 1.531637
H 0.502681 2.208628 2.538689
H 2.381157 -2.125996 2.304559
H 2.634038 4.154602 -0.110078
H 1.186686 3.659817 -1.023173
H 2.822833 3.449270 -1.741871
H 5.206497 -3.012423 -0.906206
H -2.947516 -0.562361 1.183718
H -4.851410 2.397040 -1.365402
H -4.897292 -2.083383 0.907582
H -6.835652 0.858432 -1.648700
H -7.197511 -2.706062 1.107925
H -6.412661 -3.449066 -0.345918
H -8.198200 -3.189629 -0.313846


