%chk=000002428.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002428

0 1
 Br   5.250900     -0.9926000      -2.225700    
 N   -3.789800       2.217400     -0.3420000    
 N    1.110600      0.5240000      0.6794000    
 N   -5.121300      0.4490000     -0.5393000    
 N   -1.464500      -2.688600      0.2904000    
 N   0.7351000      -1.795900      0.6915000    
 C   -1.128800     -0.3130000      0.2709000    
 C   -2.984000       1.126100     -0.1449000    
 C   -1.955000      -1.445600      0.1493000    
 C   -3.836000      3.7200000E-02 -0.2728000    
 C   -1.624400      0.9978000      0.1265000    
 C   0.2121000     -0.5640000      0.5438000    
 C   -3.311500      -1.259500     -0.1235000    
 C    2.482500      0.6575000      0.4148000    
 C   -5.057800       1.761400     -0.5741000    
 C  -0.1471000      -2.797300      0.5539000    
 C    3.082900     -9.9200003E-02 -0.5961000    
 C    3.259500       1.548100       1.162200    
 C    4.446700      3.3199999E-02 -0.8572000    
 C    4.623100       1.680600      0.9013000    
 C    5.216800      0.9232000     -0.1085000    
 H   -1.005800       1.884300      0.2077000    
 H   -3.971700      -2.117900     -0.2222000    
 H   -3.499100       3.185800     -0.3197000    
 H   0.7401000       1.271400       1.260100    
 H   -5.883400       2.433400     -0.7599000    
 H   0.2399000      -3.802800      0.6660000    
 H    2.487900     -0.7854000      -1.194600    
 H    2.811000       2.144300       1.953100    
 H    5.222900       2.373400       1.484500    
 H    6.280700       1.038500     -0.2991000    


%chk=000002428-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002428

0 1
Br 5.931451 -1.990864 -0.037901
N -4.007252 2.262503 0.264828
N 1.169937 0.571358 0.160999
N -5.346596 0.430159 -0.045933
N -1.481680 -2.659434 -0.391336
N 0.768389 -1.737663 -0.187099
C -1.154926 -0.210008 -0.021003
C -3.123198 1.180114 0.128878
C -2.011453 -1.373433 -0.217822
C -3.984637 0.030787 -0.066468
C -1.729029 1.083259 0.154308
C 0.285241 -0.486054 -0.018886
C -3.428022 -1.239776 -0.239177
C 2.588355 0.601243 0.213512
C -5.309132 1.751428 0.151844
C -0.148106 -2.757773 -0.364650
C 3.408100 -0.552705 0.077375
C 3.193405 1.874521 0.415706
C 4.802938 -0.390625 0.149243
C 4.593667 1.994089 0.481509
C 5.426312 0.857349 0.348745
H -1.120820 1.982632 0.305472
H -4.041435 -2.130964 -0.388873
H -3.757782 3.237837 0.417615
H 0.738983 1.488235 0.279491
H -6.186682 2.392266 0.222404
H 0.284886 -3.754042 -0.497897
H 2.932855 -1.521832 -0.077348
H 2.566110 2.769321 0.521494
H 5.048116 2.977995 0.637589
H 6.514505 0.944877 0.399184


