%chk=000053372.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053372

0 1
 O    4.595100      -2.208900      0.2577000    
 O    3.190800      -1.401700      -1.333100    
 N    1.167900       3.638400     -0.5266000    
 C  -0.6088000      0.4473000      9.6500002E-02
 C    1.742800      0.1431000      0.5584000    
 C   0.4474000     -0.3706000      0.4975000    
 C   -1.952400     -8.5900001E-02  3.3199999E-02
 C  -0.3700000       1.778700     -0.2437000    
 C    1.981800       1.474600      0.2183000    
 C   0.9255000       2.292400     -0.1827000    
 C    2.872600     -0.7316000      0.9864000    
 C   -2.416400     -0.6693000      -1.145800    
 C   -2.783500     -1.6799999E-02   1.151200    
 C   -3.711700      -1.183400      -1.206700    
 C   -4.078700     -0.5310000       1.090300    
 C    3.540500      -1.461400     -0.1623000    
 C   -4.542800      -1.114200     -8.8699996E-02
 H   0.2653000      -1.410500      0.7615000    
 H   -1.191400       2.420400     -0.5573000    
 H    2.992200       1.875000      0.2637000    
 H    2.514700      -1.479900       1.703900    
 H    3.633700     -0.1302000       1.498300    
 H   -1.781500     -0.7314000      -2.026500    
 H   -2.437600      0.4346000       2.078200    
 H   -4.073200      -1.637600      -2.124700    
 H   -4.726000     -0.4773000       1.960800    
 H    2.107000       4.011300     -0.4818000    
 H   0.4028000       4.232500     -0.8169000    
 H   -5.551300      -1.514600     -0.1362000    
 H    5.026800      -2.681400     -0.4857000    


%chk=000053372-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053372

0 1
O 3.922123 -2.110574 -1.042527
O 4.864800 -0.093458 -0.387007
N 1.249027 3.601302 -0.160896
C -0.624022 0.375432 0.164750
C 1.776069 -0.030617 0.519679
C 0.451007 -0.514827 0.438995
C -2.026029 -0.131474 0.082618
C -0.345816 1.749419 -0.028191
C 2.046919 1.341162 0.324251
C 0.985437 2.246243 0.045070
C 2.919009 -0.997072 0.852930
C -2.306814 -1.421584 -0.446771
C -3.120093 0.659529 0.530939
C -3.630938 -1.903698 -0.524096
C -4.445332 0.180649 0.452090
C 3.999781 -0.981297 -0.215005
C -4.708652 -1.104734 -0.075945
H 0.247670 -1.575227 0.622405
H -1.162255 2.438574 -0.276961
H 3.080770 1.704670 0.373130
H 2.531819 -2.021423 0.962269
H 3.397965 -0.695379 1.802753
H -1.483892 -2.037765 -0.826257
H -2.926604 1.643318 0.973780
H -3.822906 -2.898093 -0.942984
H -5.270972 0.804987 0.812287
H 2.201129 3.953690 -0.136747
H 0.498903 4.252684 -0.370569
H -5.736969 -1.478173 -0.136514
H 4.620468 -2.045664 -1.750275


