%chk=000039506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000039506

0 1
 Br   2.592400      0.7570000       2.580000    
 Br  -2.623300      -2.581200       1.010300    
 Br  -5.053100     -0.5528000     -0.3938000    
 O   0.6412000       1.393700      0.2284000    
 C  -0.6339000      0.9359000      9.8200001E-02
 C    1.670800      0.5431000     -0.1380000    
 C  -0.9618000     -0.3495000      0.5292000    
 C   -1.613100       1.753000     -0.4669000    
 C    2.628500      0.1560000      0.7829000    
 C    1.705200      9.8999999E-02  -1.449000    
 C   -2.268900     -0.8180000      0.3950000    
 C   -2.920000       1.284800     -0.6010000    
 C   -3.248000     -6.9999998E-04 -0.1700000    
 C    3.652300     -0.7020000      0.3811000    
 C    2.729200     -0.7590000      -1.850700    
 C    3.702700      -1.159300     -0.9357000    
 H  -0.2090000     -0.9860000      0.9881000    
 H   -1.363200       2.755000     -0.8049000    
 H   0.9613000      0.4112000      -2.176200    
 H   -3.667500       1.938000      -1.044500    
 H    4.419600      -1.024800       1.080200    
 H    2.770000      -1.113000      -2.876700    
 H    4.500200      -1.826900      -1.248800    


%chk=000039506-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000039506

0 1
Br 2.785758 1.460274 2.321627
Br -2.977162 -2.747607 0.154964
Br -5.373469 -0.231391 -0.284234
O 0.609110 1.244155 0.141798
C -0.729414 0.817772 0.001298
C 1.687710 0.388414 -0.170931
C -1.123229 -0.535405 0.097916
C -1.686978 1.842996 -0.157273
C 2.814835 0.398840 0.685329
C 1.718286 -0.374770 -1.362684
C -2.494751 -0.860801 0.015314
C -3.050751 1.504293 -0.231597
C -3.465856 0.153548 -0.153092
C 3.961860 -0.355704 0.360758
C 2.861747 -1.135293 -1.682698
C 3.984055 -1.128090 -0.822529
H -0.383640 -1.325393 0.249642
H -1.356730 2.883266 -0.214079
H 0.853228 -0.357832 -2.033446
H -3.801574 2.289205 -0.356297
H 4.826109 -0.339794 1.031116
H 2.877285 -1.722800 -2.606287
H 4.875170 -1.714381 -1.067413


