%chk=000040311.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040311

0 1
 O  -0.5778000      5.2900001E-02  9.7199999E-02
 O    3.481400     -0.9489000      -1.102900    
 O    1.612700       2.288600      0.9162000    
 O   0.5898000      -1.864100      0.5388000    
 N    1.725400      0.1084000      5.2700002E-02
 C   -2.995200      0.2659000      6.9899999E-02
 C   -1.801100     -0.6694000      0.2795000    
 C   -3.007100      0.8459000      -1.346000    
 C   -4.303500     -0.4688000      0.3536000    
 C   0.5772000     -0.6674000      0.2562000    
 C    3.063200     -0.4690000      0.1656000    
 C    1.635000       1.525900     -0.2808000    
 H   -2.904700       1.107900      0.7680000    
 H   -1.822800      -1.075100       1.298100    
 H   -1.839100      -1.501000     -0.4349000    
 H   -3.866200       1.511000      -1.485100    
 H   -3.068200      5.2700002E-02  -2.099000    
 H   -2.102300       1.430400      -1.542000    
 H   -5.160400      0.2029000      0.2360000    
 H   -4.319300     -0.8531000       1.378900    
 H   -4.440700      -1.315300     -0.3280000    
 H    3.048200      -1.312500      0.8623000    
 H    3.770100      0.2826000      0.5293000    
 H   0.7261000       1.738900     -0.8506000    
 H    2.501800       1.815600     -0.8835000    
 H    2.760000      -1.502700      -1.446200    
 H    1.564900       3.224600      0.6569000    


%chk=000040311-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040311

0 1
O -0.597608 0.124120 0.038978
O 3.313654 -1.368844 -0.918806
O 2.004840 2.366305 0.982997
O 0.698125 -1.819195 0.285895
N 1.715286 0.254048 -0.030110
C -3.035951 0.221629 0.053693
C -1.825715 -0.715509 0.161760
C -3.104208 0.908256 -1.329128
C -4.323604 -0.585951 0.347026
C 0.607945 -0.567311 0.120957
C 3.032318 -0.408714 0.131170
C 1.649341 1.675845 -0.276870
H -2.922564 1.002110 0.832640
H -1.791671 -1.237909 1.135078
H -1.817668 -1.473376 -0.644578
H -3.950654 1.617653 -1.372703
H -3.248716 0.159035 -2.131493
H -2.175119 1.464727 -1.543168
H -5.211754 0.068031 0.285069
H -4.303482 -1.036478 1.356812
H -4.456103 -1.401993 -0.389140
H 3.060803 -0.890191 1.126730
H 3.807720 0.367095 0.063520
H 0.626539 1.934746 -0.599194
H 2.382024 1.936649 -1.068978
H 2.692106 -2.133508 -0.784170
H 2.021517 3.345632 0.826216


