%chk=000153674.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153674

0 1
 Br  -6.333900     -0.9783000      -1.285800    
 N  -0.8640000      9.1399997E-02   1.168600    
 N    2.915600      0.7251000     -0.5287000    
 N    3.861500      -3.983600     -0.4269000    
 C   0.4172000      0.3064000      0.5923000    
 C    1.258700     -0.7836000      0.3476000    
 C   0.8262000       1.605900      0.2760000    
 C    2.516800     -0.5246000     -0.2221000    
 C    2.101100       1.771400     -0.2909000    
 C   0.8737000      -2.100000      0.6557000    
 C   1.1000000E-03   2.719500      0.5112000    
 C    3.359200      -1.605600     -0.4681000    
 C    2.514000       3.062800     -0.6081000    
 C   -2.122700     -0.1539000      0.6043000    
 C    2.979600      -2.915100     -0.1634000    
 C    1.734400      -3.163300      0.3998000    
 C   0.4376000       4.000100      0.1852000    
 C    1.696600       4.171700     -0.3756000    
 C   -3.242600     -0.3333000       1.424200    
 C   -2.272500     -0.2225000     -0.7855000    
 C   -4.495400     -0.5781000      0.8620000    
 C   -3.525400     -0.4672000      -1.347800    
 C   -4.636800     -0.6451000     -0.5240000    
 H  -0.8478000      0.1240000       2.183700    
 H  -9.0899996E-02  -2.329000       1.101200    
 H  -0.9871000       2.621600      0.9528000    
 H    4.338600      -1.423200     -0.9094000    
 H    3.496400       3.223300      -1.048500    
 H    1.423300      -4.175200      0.6444000    
 H  -0.2009000       4.858600      0.3689000    
 H    2.047000       5.166800     -0.6335000    
 H   -3.147900     -0.2840000       2.506300    
 H   -1.424400     -8.8000000E-02  -1.451800    
 H   -5.351300     -0.7147000       1.518000    
 H   -3.618500     -0.5166000      -2.429600    
 H    4.767500      -3.802900     -0.8382000    
 H    3.587100      -4.932100     -0.2080000    


%chk=000153674-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153674

0 1
Br -6.076662 -2.395265 -1.039851
N -1.022741 0.531425 1.069760
N 2.996607 0.820573 -0.463744
N 3.426557 -3.997622 -0.704522
C 0.287052 0.595553 0.526480
C 1.050884 -0.575202 0.242093
C 0.885847 1.885163 0.330752
C 2.405491 -0.407932 -0.290513
C 2.265115 1.933928 -0.142706
C 0.591843 -1.914819 0.500850
C 0.188389 3.121924 0.555763
C 3.181478 -1.564917 -0.614214
C 2.894130 3.218878 -0.304274
C -2.145187 -0.166824 0.567329
C 2.687493 -2.859364 -0.394035
C 1.373780 -3.017529 0.194932
C 0.827762 4.348622 0.380471
C 2.199427 4.396164 -0.040923
C -3.318273 -0.239879 1.370357
C -2.161388 -0.760950 -0.725363
C -4.478593 -0.887612 0.899825
C -3.317251 -1.418193 -1.194281
C -4.467203 -1.478647 -0.380389
H -1.227127 1.214655 1.801726
H -0.390642 -2.067894 0.955359
H -0.872024 3.106809 0.834014
H 4.183056 -1.392692 -1.021497
H 3.933204 3.221624 -0.647642
H 1.002592 -4.027656 0.407892
H 0.279601 5.282095 0.548259
H 2.691160 5.366755 -0.170334
H -3.322743 0.206088 2.372333
H -1.280082 -0.699347 -1.369592
H -5.373062 -0.935160 1.527524
H -3.318981 -1.868405 -2.191166
H 4.355150 -3.919332 -1.109434
H 3.056442 -4.926313 -0.524941


