%chk=000021594.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021594

0 1
 I    5.263600       1.460900     -0.1215000    
 I   -5.264100       1.461800      0.1224000    
 O    1.375800     -0.2368000     -0.2784000    
 O   -1.372400     -0.2440000      0.2757000    
 O    3.329600     -0.8891000      0.7505000    
 O   -3.330500     -0.8883000     -0.7501000    
 C   0.7216000      -1.403500      0.2316000    
 C  -0.7225000      -1.403300     -0.2314000    
 C    2.695900     -0.1022000      6.1799999E-02
 C   -2.696600     -0.1018000     -6.1299998E-02
 C    3.212200       1.172900     -0.5627000    
 C   -3.212600       1.173300      0.5635000    
 H    1.231900      -2.300900     -0.1349000    
 H   0.7604000      -1.374700       1.326700    
 H   -1.230600      -2.302800      0.1333000    
 H  -0.7591000      -1.376800      -1.326700    
 H    2.625000       2.011100     -0.1737000    
 H    3.070100       1.110400      -1.646400    
 H   -2.624900       2.011200      0.1747000    
 H   -3.070200       1.110200       1.647200    


%chk=000021594-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021594

0 1
I 4.638565 0.479923 -1.936232
I -4.512102 0.426319 2.072130
O 1.475387 -0.175179 -0.175827
O -1.465526 -0.157448 0.128697
O 3.136969 -0.762971 1.355071
O -3.188735 -0.700908 -1.349248
C 0.651682 -1.312997 0.318146
C -0.662650 -1.279296 -0.432044
C 2.723136 -0.026967 0.432182
C -2.738300 0.005290 -0.420092
C 3.467708 1.140071 -0.173572
C -3.462086 1.145648 0.257678
H 1.194615 -2.254661 0.116011
H 0.507823 -1.213654 1.407809
H -1.222050 -2.221628 -0.286347
H -0.516720 -1.117364 -1.513941
H 4.209836 1.533889 0.531924
H 2.787615 1.913949 -0.552101
H -4.250863 1.543794 -0.392485
H -2.771701 1.921789 0.612542


