%chk=000130261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130261

0 1
 Br   5.961200      0.1043000      1.2000001E-03
 N   -2.237800      0.1003000     -5.0000001E-02
 N   -5.017800     -0.4978000      0.2009000    
 N  -3.4299999E-02 -0.7443000      0.1335000    
 C   -2.746600      -1.218100     -0.4520000    
 C   -3.062100      0.8320000      0.9181000    
 C   -4.218900      -1.124600     -0.8511000    
 C   -4.523600      0.8513000      0.4711000    
 C  -0.8544000      0.3097000     -8.2000002E-02
 C  -0.4150000       1.593500     -0.3345000    
 C    1.295200     -0.5338000      9.9699996E-02
 C    1.840600      0.7428000     -0.1510000    
 C   0.9555000       1.807400     -0.3682000    
 C    2.174800      -1.591000      0.3156000    
 C    3.233500      0.9263000     -0.1790000    
 C    3.559600      -1.408900      0.2877000    
 C    4.090000     -0.1489000      4.0100001E-02
 H   -2.623300      -1.927800      0.3761000    
 H   -2.182100      -1.604000      -1.310200    
 H   -2.727000       1.868500       1.037500    
 H   -2.974200      0.3500000       1.900300    
 H   -4.322400     -0.5586000      -1.785500    
 H   -4.604800      -2.131800      -1.042100    
 H   -5.134800       1.304500       1.259300    
 H   -4.637200       1.477000     -0.4231000    
 H   -5.990200     -0.4454000     -0.1015000    
 H   -1.093400       2.419300     -0.5201000    
 H    1.329600       2.808700     -0.5689000    
 H    1.784000      -2.587900      0.5116000    
 H    3.643300       1.916000     -0.3734000    
 H    4.207100      -2.264500      0.4618000    


%chk=000130261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130261

0 1
Br 6.003036 -0.004457 -0.596339
N -2.277896 0.089599 0.435675
N -5.005009 -0.428574 -0.220797
N -0.101487 -0.720232 0.091876
C -2.792853 -1.299510 0.424156
C -3.314850 1.102326 0.709526
C -3.966565 -1.427035 -0.566575
C -4.486695 0.953096 -0.288762
C -0.915128 0.347308 0.312279
C -0.379192 1.695212 0.412329
C 1.255788 -0.517861 -0.052682
C 1.866278 0.792515 0.021079
C 0.985173 1.899955 0.265796
C 2.101800 -1.650563 -0.286550
C 3.277793 0.939593 -0.140491
C 3.483321 -1.497370 -0.443534
C 4.057371 -0.194058 -0.368961
H -3.153181 -1.560268 1.440796
H -1.958547 -1.963267 0.153572
H -2.903810 2.119540 0.633734
H -3.708539 0.959407 1.737555
H -3.570320 -1.296665 -1.603414
H -4.399751 -2.440449 -0.486336
H -5.291338 1.657791 -0.009387
H -4.114804 1.230806 -1.306662
H -5.875812 -0.554408 -0.751017
H -1.029245 2.550392 0.608866
H 1.398815 2.912429 0.341159
H 1.635683 -2.638956 -0.339098
H 3.731449 1.934550 -0.083822
H 4.123013 -2.366646 -0.622070


