%chk=000049162.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049162

0 1
 O    1.190400      -1.378200      -2.008600    
 O  -0.3949000      0.2981000       2.081300    
 O    3.599900       1.739300      0.3435000    
 N    2.344400      0.2523000     -0.8805000    
 N    1.552700       1.089100       1.162900    
 C   1.0300000E-02 -0.1809000     -0.2610000    
 C  -0.8698000      -1.427800     -9.1100000E-02
 C  -0.7831000      0.9030000      -1.012600    
 C    1.221600     -0.5253000      -1.121800    
 C   0.3564000      0.3894000       1.110800    
 C  -0.1085000      -2.539000      0.6170000    
 C   -1.998300       1.300200     -0.2405000    
 C  -0.9720000      -3.781600      0.7634000    
 C    2.563700       1.086100      0.2094000    
 C   -3.246900       1.181000     -0.7143000    
 C   -4.465900       1.594100      4.2100001E-02
 H   -1.212100      -1.790100      -1.069800    
 H   -1.773700      -1.212500      0.4920000    
 H  -0.1679000       1.800200      -1.162500    
 H   -1.050400      0.5506000      -2.017800    
 H   0.2102000      -2.226100       1.617000    
 H   0.7966000      -2.821900      7.0200004E-02
 H   -1.863400       1.782300      0.7235000    
 H    3.120900      0.1416000      -1.526600    
 H    1.745600       1.595300       2.022700    
 H   -1.872100      -3.568800       1.349300    
 H   -1.280200      -4.164100     -0.2150000    
 H  -0.4146000      -4.572500       1.275500    
 H   -3.410100      0.7414000      -1.694700    
 H   -5.015700       2.352500     -0.5234000    
 H   -4.224300       2.010000       1.025300    
 H   -5.122600      0.7313000      0.1893000    


%chk=000049162-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049162

0 1
O 1.025203 -1.080045 -2.241991
O -0.267049 0.481893 2.160754
O 3.915997 1.434786 0.386111
N 2.414858 0.206650 -0.920643
N 1.766213 1.007917 1.202980
C 0.025528 -0.126797 -0.207827
C -0.819519 -1.413982 -0.000968
C -0.856747 1.002046 -0.928272
C 1.173998 -0.402531 -1.192824
C 0.474194 0.442935 1.144865
C -0.048790 -2.587337 0.644442
C -2.143609 1.347428 -0.214875
C -0.947466 -3.830349 0.819220
C 2.778541 0.926377 0.231175
C -3.374168 1.200562 -0.773955
C -4.678021 1.571539 -0.106212
H -1.204413 -1.722680 -0.990930
H -1.686388 -1.146428 0.628685
H -0.225394 1.908079 -1.041658
H -1.073934 0.619645 -1.942633
H 0.340901 -2.277946 1.634697
H 0.823950 -2.856450 0.016599
H -2.058462 1.750482 0.803517
H 3.153304 0.090721 -1.622577
H 2.030162 1.469419 2.079888
H -1.814142 -3.605054 1.468384
H -1.336131 -4.177892 -0.156284
H -0.389911 -4.666855 1.278053
H -3.447333 0.784296 -1.791486
H -5.224064 2.335855 -0.692800
H -4.513705 1.969999 0.909995
H -5.347403 0.692714 -0.028432


