%chk=000029857.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029857

0 1
 Br  -5.328000      -1.430400      0.1007000    
 Cl   5.086700     -9.0800002E-02 -0.4403000    
 N   -1.578800      0.3835000     -0.1881000    
 C  -0.7973000     -0.5059000      0.6702000    
 C   -3.008800      0.2141000      6.7400001E-02
 C   -1.183200       1.775500      2.3300000E-02
 C   0.6784000     -0.4012000      0.3910000    
 C   -3.411600      -1.227000     -0.1833000    
 C   -1.985500       2.714700     -0.8613000    
 C    1.254800      -1.232200     -0.5594000    
 C    1.442000      0.5243000       1.088700    
 C    2.622200      -1.135900     -0.8173000    
 C    2.809500      0.6208000      0.8308000    
 C    3.399600     -0.2094000     -0.1223000    
 H   -1.043700      -1.560500      0.5133000    
 H  -0.9873000     -0.3085000       1.734700    
 H   -3.606700      0.8287000     -0.6140000    
 H   -3.270300      0.5137000       1.091200    
 H   -1.286100       2.083100       1.071400    
 H  -0.1460000       1.937800     -0.2828000    
 H   -3.211500      -1.550000      -1.209000    
 H   -2.990700      -1.943600      0.5241000    
 H   -2.023500       2.365500      -1.899000    
 H   -3.006300       2.864800     -0.4961000    
 H   -1.512300       3.703500     -0.8692000    
 H   0.6591000      -1.955700      -1.109000    
 H    1.000400       1.167000       1.845200    
 H    3.068300      -1.788800      -1.563100    
 H    3.403400       1.345000       1.382400    


%chk=000029857-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000029857

0 1
Br -5.209819 -1.878212 -0.157278
Cl 5.114506 -0.569076 -0.777198
N -1.654266 0.488194 0.224907
C -0.699582 -0.037962 1.226105
C -3.052636 0.053925 0.440137
C -1.471584 1.926183 -0.100992
C 0.736928 -0.124988 0.714216
C -3.317001 -1.166327 -0.454538
C -2.013424 2.298864 -1.493301
C 1.008328 -0.490719 -0.627989
C 1.825066 0.109796 1.589723
C 2.335240 -0.628574 -1.090525
C 3.161340 -0.025756 1.147703
C 3.393450 -0.395816 -0.190052
H -1.038913 -1.056402 1.501914
H -0.714598 0.560389 2.171057
H -3.750780 0.864678 0.168282
H -3.257576 -0.201305 1.501670
H -1.942804 2.578042 0.675311
H -0.385958 2.131635 -0.075533
H -3.262553 -0.913604 -1.523245
H -2.655124 -2.014391 -0.221261
H -1.496980 1.714345 -2.274846
H -3.098672 2.106981 -1.581233
H -1.849299 3.373746 -1.692683
H 0.165601 -0.652297 -1.308626
H 1.635491 0.404023 2.629318
H 2.542900 -0.910975 -2.126903
H 3.999519 0.157702 1.826061


