%chk=000012885.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012885

0 1
 Br   2.602400      -3.007400     -8.9999998E-04
 Br   3.892900       2.614100     -1.0000000E-03
 Br  -5.705400     -0.2678000      1.3000000E-03
 N    4.414400     -0.4652000      7.9999998E-04
 C  -0.4533000      -1.755800     -9.9999997E-05
 C   0.7486000     -0.8344000       0.000000    
 C   0.3359000      0.5170000     -9.9999997E-05
 C   -1.600300     -0.7668000     -3.9999999E-04
 C   -1.110600      0.5586000     -3.0000001E-04
 C    2.088300      -1.181300      5.0000002E-04
 C    1.271300       1.538200      3.0000001E-04
 C   -2.957700      -1.036200     -5.0000002E-04
 C   -1.985800       1.631900     -1.9999999E-04
 C    3.030900     -0.1517000      6.9999998E-04
 C    2.626700       1.194500      5.0000002E-04
 C   -3.839600      4.5899998E-02 -5.0000002E-04
 C   -3.358600       1.366600     -1.9999999E-04
 H  -0.4798000      -2.368000      0.9062000    
 H  -0.4794000      -2.368100     -0.9063000    
 H   0.9545000       2.576800      9.9999997E-05
 H   -3.314100      -2.061200     -3.9999999E-04
 H   -1.629700       2.656700     -9.9999997E-05
 H   -4.052000       2.204900      1.9999999E-04
 H    4.711300      -1.432000       0.000000    
 H    5.099000      0.2791000      9.9999997E-05


%chk=000012885-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000012885

0 1
Br 2.661592 -3.054205 -0.000098
Br 3.998094 2.647546 0.000050
Br -5.826271 -0.272191 -0.000083
N 4.473576 -0.461963 0.000059
C -0.463762 -1.765403 -0.000025
C 0.750922 -0.849738 -0.000001
C 0.338078 0.518331 0.000023
C -1.625946 -0.778410 -0.000041
C -1.132946 0.562526 -0.000008
C 2.110650 -1.164164 -0.000002
C 1.299372 1.551026 0.000068
C -3.005417 -1.043262 -0.000074
C -2.033148 1.650728 -0.000003
C 3.127815 -0.151994 0.000048
C 2.659231 1.203058 0.000061
C -3.887477 0.062087 -0.000080
C -3.424900 1.396839 -0.000030
H -0.475290 -2.429438 0.886263
H -0.475269 -2.429411 -0.886334
H 1.004658 2.604071 0.000055
H -3.392268 -2.066640 -0.000089
H -1.675467 2.686062 0.000027
H -4.139409 2.224722 -0.000007
H 4.775428 -1.433304 -0.000066
H 5.168055 0.281526 -0.000013


