%chk=000050620.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050620

0 1
 Br  -5.496600      0.4141000      0.3741000    
 N   0.5243000      -2.765400      0.1839000    
 C    2.738000      0.2751000      0.8628000    
 C    1.245900       1.484600     -0.8970000    
 C    1.445100     -0.5485000      0.6233000    
 C   0.6251000      0.1051000     -0.5311000    
 C    2.318500       1.664300       1.381700    
 C    3.515800      0.4759000     -0.4514000    
 C    1.428700       2.369800      0.3499000    
 C    2.649800       1.217300      -1.479600    
 C    1.738000      -2.023100      0.3295000    
 C  -0.8781000      0.1823000     -0.3093000    
 C   -1.377200      0.4440000      0.9636000    
 C   -1.746800     -1.0300000E-02  -1.380200    
 C   0.7793000      -4.179400     -0.1083000    
 C   -2.755400      0.5135000       1.167500    
 C   -3.125000      5.9300002E-02  -1.176600    
 C   -3.629400      0.3213000      9.7300000E-02
 H    3.375800     -0.2179000       1.605200    
 H   0.6340000       2.007600      -1.641200    
 H   0.9018000     -0.5405000       1.573900    
 H   0.7543000     -0.5277000      -1.422900    
 H    3.206400       2.275400       1.584700    
 H    1.782500       1.570900       2.333700    
 H    3.849200     -0.4827000     -0.8626000    
 H    4.427500       1.055400     -0.2594000    
 H   0.4614000       2.623100      0.7963000    
 H    1.887700       3.325000      6.5399997E-02
 H    3.130700       2.163100      -1.757800    
 H    2.576000      0.6251000      -2.399600    
 H    2.341300      -2.434300       1.148800    
 H    2.337700      -2.110400     -0.5836000    
 H  -3.7099998E-02  -2.695800       1.032000    
 H  -0.7356000      0.6376000       1.816100    
 H   -1.367100     -0.2127000      -2.377900    
 H  -0.1750000      -4.702100     -0.2249000    
 H    1.333600      -4.660100      0.7041000    
 H    1.336600      -4.293800      -1.043600    
 H   -3.132300      0.7265000       2.164600    
 H   -3.792100     -9.2600003E-02  -2.021100    


%chk=000050620-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000050620

0 1
Br -5.614432 0.646047 0.444261
N 0.621055 -2.859448 0.043045
C 2.719349 0.293603 0.911263
C 1.264540 1.449454 -0.916924
C 1.465435 -0.583679 0.622899
C 0.620020 0.069661 -0.532091
C 2.245215 1.680481 1.421234
C 3.566140 0.498757 -0.374942
C 1.392940 2.386282 0.311736
C 2.685036 1.174741 -1.480146
C 1.826633 -2.053869 0.312330
C -0.875838 0.184842 -0.248769
C -1.397885 0.635161 0.993253
C -1.805286 -0.128497 -1.274761
C 0.875157 -4.280682 -0.246524
C -2.788573 0.774662 1.206808
C -3.198986 0.004848 -1.087470
C -3.674646 0.458949 0.158836
H 3.337493 -0.198084 1.689641
H 0.639694 1.932313 -1.693703
H 0.859417 -0.594040 1.554796
H 0.719891 -0.585538 -1.419722
H 3.124314 2.296234 1.690728
H 1.654332 1.549479 2.349737
H 3.972725 -0.466528 -0.729158
H 4.439635 1.132705 -0.129432
H 0.392336 2.663022 0.689791
H 1.876393 3.328482 -0.009780
H 3.137366 2.128850 -1.811695
H 2.611195 0.527420 -2.375281
H 2.439463 -2.460541 1.159817
H 2.468646 -2.102539 -0.591111
H -0.101325 -2.724213 0.762348
H -0.720728 0.879826 1.819444
H -1.434073 -0.499204 -2.237391
H -0.082456 -4.805600 -0.411037
H 1.435471 -4.821908 0.555953
H 1.467688 -4.368160 -1.177030
H -3.169910 1.123611 2.170994
H -3.896139 -0.247900 -1.891646


