%chk=000025764.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025764

0 1
 Br  -4.816200     -0.1818000     -0.5381000    
 N    3.308000     -8.5000005E-03 -0.2713000    
 N    1.118700      0.2260000      0.7099000    
 C  -0.2534000      0.1318000      0.4218000    
 C    1.924800     -2.6600000E-02 -0.2734000    
 C    4.053100      0.3212000      0.9354000    
 C    4.071500     -0.5625000      -1.380700    
 C  -0.9134000      -1.081300      0.5920000    
 C  -0.9424000       1.252500     -3.2200001E-02
 C   -2.275300      -1.174900      0.3053000    
 C   -2.304400       1.159000     -0.3188000    
 C   -2.970900     -5.4800000E-02 -0.1499000    
 H    1.527700     -0.3157000      -1.264800    
 H    4.089300     -0.5455000       1.602900    
 H    3.584300       1.154600       1.469200    
 H    5.080300      0.6215000      0.7036000    
 H    5.056200     -9.0499997E-02  -1.460800    
 H    3.556300     -0.4018000      -2.333700    
 H    4.211600      -1.638700      -1.238700    
 H  -0.3794000      -1.958700      0.9469000    
 H  -0.4311000       2.202100     -0.1660000    
 H   -2.779600      -2.128000      0.4423000    
 H   -2.831600       2.041200     -0.6726000    


%chk=000025764-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000025764

0 1
Br -5.009617 0.225811 -0.221067
N 3.369432 -0.062142 -0.290328
N 1.145484 -0.267159 0.489621
C -0.243692 -0.126627 0.276837
C 2.004200 -0.074645 -0.486852
C 3.939506 -0.221979 1.054407
C 4.302415 0.017203 -1.418471
C -1.121440 -0.979961 1.005233
C -0.819753 0.857642 -0.582667
C -2.519837 -0.886566 0.858348
C -2.219545 0.962039 -0.733308
C -3.055759 0.082591 -0.017052
H 1.709762 0.066509 -1.545271
H 4.515210 -1.165582 1.129071
H 3.108287 -0.248523 1.775286
H 4.614610 0.622517 1.291966
H 4.996773 0.871089 -1.295281
H 3.746196 0.155949 -2.361008
H 4.906790 -0.908031 -1.505395
H -0.683053 -1.719119 1.682798
H -0.172516 1.570068 -1.107599
H -3.179899 -1.555529 1.418337
H -2.649454 1.725042 -1.389304


