%chk=000047918.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047918

0 1
 O   -3.511200     -0.6843000      8.3999997E-03
 O    3.511200     -0.6843000      8.9999996E-03
 N   -2.479900      -1.354500     -5.4000001E-03
 N    2.479900      -1.354300     -5.2999998E-03
 C   -1.261500     -0.4838000     -1.1800000E-02
 C    1.261600     -0.4839000     -1.2400000E-02
 C   3.0000001E-04   1.316500      -1.250700    
 C  -3.9999999E-04   1.284300       1.272200    
 C   9.9999997E-05  -1.372000     -2.3499999E-02
 C   -1.254700      0.4253000      -1.258000    
 C   -1.255000      0.3924000       1.256700    
 C    1.255000      0.4246000      -1.258000    
 C    1.254700      0.3931000       1.256800    
 C  -9.9999997E-05   2.181000      2.2000000E-02
 H   6.0000003E-04   1.961600      -2.136300    
 H  -6.0000003E-04   1.906800       2.174000    
 H   1.9999999E-04  -2.046500      0.8452000    
 H  -9.9999997E-05  -2.024300     -0.9090000    
 H   -2.148200       1.063100      -1.288200    
 H   -1.275300     -0.1786000      -2.175100    
 H   -1.274100     -0.2333000       2.159200    
 H   -2.147500       1.030700       1.304500    
 H    1.275200     -0.1792000      -2.175200    
 H    2.148600       1.062200      -1.288500    
 H    2.146900       1.031800       1.304300    
 H    1.274100     -0.2327000       2.159300    
 H   0.8809000       2.834500      3.0500000E-02
 H  -0.8812000       2.834400      3.0099999E-02


%chk=000047918-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047918

0 1
O -3.287754 -1.318140 -0.756299
O 3.287794 -1.318388 -0.756056
N -2.442133 -1.369872 0.192121
N 2.442159 -1.369742 0.192426
C -1.257918 -0.412065 0.035279
C 1.258131 -0.411879 0.035508
C -0.000006 1.363631 -1.218788
C -0.000142 1.357724 1.319376
C 0.000103 -1.330779 0.052058
C -1.272215 0.469706 -1.227666
C -1.268937 0.463510 1.325680
C 1.272302 0.469871 -1.227536
C 1.268751 0.463641 1.325836
C -0.000155 2.255863 0.053471
H -0.000026 2.004900 -2.120801
H -0.000261 1.985249 2.231441
H 0.000102 -1.976304 0.949191
H 0.000312 -1.984187 -0.840474
H -2.187266 1.090916 -1.244984
H -1.301515 -0.164378 -2.133834
H -1.293311 -0.186330 2.220181
H -2.180593 1.089854 1.337569
H 1.301775 -0.164291 -2.133641
H 2.187290 1.091175 -1.244796
H 2.180341 1.090086 1.337911
H 1.293082 -0.186124 2.220402
H 0.891116 2.913544 0.055652
H -0.891526 2.913408 0.055574


