%chk=000020044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000020044

0 1
 O   -3.433500     -0.4331000     -3.9999999E-04
 O  -0.7883000      -3.513500       0.000000    
 O   -2.078700       3.394500     -9.9999997E-05
 O   -2.869400      -2.814800       0.000000    
 O   -3.767300       1.991600     -3.9999999E-04
 N   -1.636100      -2.589900     -9.9999997E-05
 N   -2.535900       2.227200      9.9999997E-05
 C    2.140100      0.6081000      5.0000002E-04
 C    2.823200      6.7299999E-02  -1.267800    
 C    2.824200      6.6699997E-02   1.268100    
 C    4.322500      0.3613000      -1.263000    
 C    4.323500      0.3607000       1.262300    
 C    4.996300     -0.1689000     -7.9999998E-04
 C   0.6480000      0.3294000      3.9999999E-04
 C  -0.2557000       1.389400      6.0000003E-04
 C   0.1879000     -0.9855000       0.000000    
 C   -1.183400      -1.241600     -9.9999997E-05
 C   -1.626900       1.133300      5.0000002E-04
 C   -2.090600     -0.1822000      9.9999997E-05
 H    2.283300       1.698400      7.9999998E-04
 H    2.369000      0.5163000      -2.159900    
 H    2.679300      -1.016700      -1.356900    
 H    2.680300      -1.017400       1.356800    
 H    2.370500      0.5152000       2.160700    
 H    4.482200       1.444100      -1.335000    
 H    4.788600     -8.9199997E-02  -2.146400    
 H    4.790400     -9.0400003E-02   2.145200    
 H    4.483300       1.443400       1.334900    
 H    4.959500      -1.265300     -1.1000000E-03
 H    6.054600      0.1152000     -1.1000000E-03
 H   0.1292000       2.406400      7.9999998E-04
 H   0.9086000      -1.798900       0.000000    
 H   -3.911100      0.2912000     -0.4339000    


%chk=000020044-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000020044

0 1
O -3.532916 -0.450913 -0.046971
O -0.637077 -3.550152 -0.037350
O -2.103919 3.478881 -0.039185
O -2.848646 -3.009821 -0.023876
O -3.874927 2.048864 -0.046562
N -1.606209 -2.687879 -0.030830
N -2.570692 2.286502 -0.039599
C 2.159104 0.627312 -0.008611
C 2.859362 0.060748 -1.279703
C 2.838624 0.065319 1.275735
C 4.377962 0.355561 -1.265649
C 4.357242 0.359854 1.284908
C 5.049583 -0.191110 0.016042
C 0.660125 0.359966 -0.019229
C -0.274519 1.408652 -0.024241
C 0.155426 -0.966666 -0.022812
C -1.222316 -1.248504 -0.030802
C -1.663371 1.143696 -0.032976
C -2.198773 -0.198323 -0.036547
H 2.309794 1.727632 -0.009301
H 2.391981 0.489775 -2.187112
H 2.701703 -1.036626 -1.326510
H 2.679831 -1.031850 1.323938
H 2.356815 0.497819 2.173896
H 4.537757 1.452196 -1.323389
H 4.850581 -0.083105 -2.165151
H 4.815390 -0.075765 2.193343
H 4.516289 1.456650 1.341513
H 4.988750 -1.299123 0.017385
H 6.125005 0.069902 0.024404
H 0.050021 2.453787 -0.021606
H 0.832047 -1.826420 -0.018741
H -4.012426 0.465440 -0.049608


