%chk=000046382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046382

0 1
 Br   3.448900       1.635600     -1.9999999E-04
 Cl   3.226200      -1.693900       0.000000    
 O   -1.876300      -1.085600     -1.9999999E-04
 N   -1.887800       1.180800      9.9999997E-05
 N   -3.939300     -7.5099997E-02 -5.0000002E-04
 C  -0.5794000     -0.6582000      9.9999997E-05
 C  -0.5903000      0.7288000      1.9999999E-04
 C   0.5686000      -1.440900      9.9999997E-05
 C   0.6318000       1.416200       0.000000    
 C    1.779400     -0.7398000       0.000000    
 C    1.813000      0.6601000     -9.9999997E-05
 C   -2.594700      7.1999997E-02  3.9999999E-04
 H   0.5150000      -2.523300      9.9999997E-05
 H   0.6466000       2.501700       0.000000    
 H   -4.377800     -0.9902000     -3.9999999E-04
 H   -4.565500      0.7233000     -3.9999999E-04


%chk=000046382-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000046382

0 1
Br 3.513677 1.660419 0.000133
Cl 3.343720 -1.707983 0.000146
O -1.920702 -1.148138 -0.000162
N -1.932305 1.193202 -0.000175
N -4.016604 -0.055430 -0.000239
C -0.571227 -0.700113 -0.000085
C -0.590144 0.726166 -0.000104
C 0.590033 -1.467751 -0.000019
C 0.628286 1.430206 -0.000036
C 1.808105 -0.744181 0.000056
C 1.825177 0.676751 0.000048
C -2.660598 0.078593 -0.000150
H 0.583053 -2.559644 -0.000018
H 0.650451 2.521864 -0.000047
H -4.444229 -0.976736 -0.000008
H -4.588291 0.784276 -0.000142


