%chk=000063828.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063828

0 1
 Br   5.586900     -0.8895000       1.759500    
 Br   5.020900       2.755900      -2.535900    
 O   9.0000004E-02  0.7899000      -1.239100    
 O  -0.5889000       2.360700       1.373000    
 O   -4.494100       4.072900     -0.7559000    
 N  -0.9531000     -0.9637000      0.5717000    
 N   0.3970000     -0.6982000      0.5294000    
 N    2.516600      -1.137500       1.446100    
 C   -1.719800     -0.2550000       1.572500    
 C   -1.442200      -2.011000     -0.2103000    
 C    1.234700      -1.335600       1.423600    
 C   0.8124000      0.2122000     -0.4344000    
 C   -2.447400      0.9066000      0.9545000    
 C    2.274200      0.4509000     -0.4245000    
 C    3.061600     -0.2336000      0.5143000    
 C   -1.845200       2.156900      0.8865000    
 C   0.6270000      -2.298400       2.412000    
 C   -2.764700      -2.453500     -6.1299998E-02
 C  -0.6200000      -2.637300      -1.158200    
 C   -3.728600      0.7067000      0.4546000    
 C    2.851600       1.341700      -1.334800    
 C    4.442500     -7.7000000E-03  0.5237000    
 C   -2.534400       3.223700      0.3098000    
 C    4.229100       1.553800      -1.310400    
 C   -4.417900       1.773400     -0.1220000    
 C    5.023400      0.8809000     -0.3833000    
 C   -3.254400      -3.499500     -0.8434000    
 C   -1.109700      -3.683300      -1.940300    
 C   -3.820700       3.032000     -0.1944000    
 C   -2.426900      -4.114400      -1.783000    
 H   -1.066700      0.1298000       2.368000    
 H   -2.411000     -0.9076000       2.119700    
 H    1.421400      -2.804800       2.969800    
 H   3.2099999E-02  -3.063000       1.908600    
 H   2.3000001E-03  -1.764100       3.131200    
 H   -3.431800      -2.075700      0.7009000    
 H   0.4129000      -2.345100      -1.322500    
 H   -4.249100     -0.2374000      0.5335000    
 H    2.233900       1.867800      -2.058400    
 H   -2.069700       4.205100      0.2526000    
 H   -5.424000       1.621100     -0.5034000    
 H    6.098100       1.050300     -0.3686000    
 H   -4.274300      -3.848000     -0.7089000    
 H  -0.4654000      -4.163700      -2.671000    
 H   -2.806900      -4.931800      -2.388800    
 H  -0.3388000       3.289400       1.229400    
 H   -3.933100       4.866700     -0.7220000    


%chk=000063828-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000063828

0 1
Br 5.573976 -0.298623 1.847672
Br 4.559632 3.053409 -2.754355
O -0.186930 0.471799 -1.325472
O -0.424108 2.023329 1.622142
O -3.997846 4.493126 -0.713164
N -1.037971 -1.244918 0.678467
N 0.313191 -0.854056 0.557945
N 2.523603 -0.981496 1.490503
C -1.887852 -0.384480 1.547030
C -1.512984 -2.268612 -0.184229
C 1.252716 -1.355278 1.486955
C 0.664385 0.071916 -0.491335
C -2.437313 0.896755 0.932240
C 2.089163 0.472161 -0.471934
C 2.961572 -0.061890 0.532322
C -1.686726 2.098809 0.996286
C 0.773225 -2.367671 2.493922
C -2.887286 -2.640992 -0.194108
C -0.608661 -2.990720 -1.015334
C -3.708256 0.960610 0.313007
C 2.546799 1.389804 -1.449965
C 4.322547 0.375626 0.515624
C -2.173516 3.313150 0.466526
C 3.888626 1.784988 -1.421044
C -4.221980 2.153117 -0.232030
C 4.789642 1.287613 -0.444651
C -3.331388 -3.709058 -1.001040
C -1.069413 -4.051657 -1.819609
C -3.444324 3.329330 -0.155916
C -2.432337 -4.426886 -1.820671
H -1.268893 -0.119739 2.422118
H -2.715560 -1.016433 1.912227
H 1.641239 -2.692289 3.085059
H 0.312997 -3.239317 1.995864
H 0.013406 -1.942535 3.173796
H -3.618108 -2.105391 0.416827
H 0.450749 -2.720033 -1.042988
H -4.315515 0.051224 0.248690
H 1.836980 1.757278 -2.196142
H -1.568689 4.229070 0.526313
H -5.201063 2.191317 -0.715831
H 5.834698 1.606505 -0.439159
H -4.394905 -3.974213 -0.990206
H -0.352580 -4.586430 -2.452981
H -2.784908 -5.250730 -2.449166
H 0.020369 2.905939 1.641886
H -3.370604 5.255574 -0.651990


