%chk=000033073.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033073

0 1
 O    4.976700       1.247800      0.1001000    
 O  -0.8470000      -2.778000     -0.2943000    
 N    2.556000     -0.2570000      7.6399997E-02
 N    1.351900     -0.7519000      0.4305000    
 C    3.653300     -0.5760000      0.9953000    
 C    2.587900       1.158300     -0.3100000    
 C    4.993100     -0.1455000      0.4087000    
 C    3.959200       1.538400     -0.8575000    
 C   0.6076000      -1.003300     -0.5885000    
 C   -1.906000     -0.6512000     -0.1628000    
 C  -0.7537000      -1.560500     -0.3430000    
 C   -4.060900       1.048700      0.1736000    
 C   -1.701500      0.7147000     -0.2253000    
 C   -3.159300      -1.190100      6.3500002E-02
 C   -2.788300       1.572300     -5.5500001E-02
 C   -4.246300     -0.3326000      0.2331000    
 C   -5.222900       1.965900      0.3558000    
 H    3.679700      -1.654100       1.191700    
 H    3.486800     -6.6100001E-02   1.952800    
 H    2.355300       1.777400      0.5659000    
 H    1.835500       1.375600      -1.076400    
 H    5.791300     -0.3158000       1.138200    
 H    5.241200     -0.7179000     -0.4935000    
 H    4.178300       1.014500      -1.796000    
 H    3.993200       2.613000      -1.063200    
 H   0.8741000     -0.8524000      -1.649500    
 H  -0.7272000       1.156600     -0.4052000    
 H   -3.322400      -2.262600      0.1124000    
 H   -2.631900       2.646600     -0.1063000    
 H   -5.233000     -0.7525000      0.4093000    
 H   -4.911800       2.912000      0.8117000    
 H   -5.688500       2.178900     -0.6116000    
 H   -5.975300       1.523800       1.017800    


%chk=000033073-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000033073

0 1
O 5.268813 0.811536 0.155549
O -1.190750 -1.311245 -2.725339
N 2.478765 0.351002 -0.330329
N 1.128302 0.234453 -0.475805
C 2.912792 1.442764 0.568165
C 3.480855 -0.118812 -1.319749
C 4.272290 1.103965 1.200465
C 4.834001 -0.358145 -0.616978
C 0.593871 -0.462844 -1.471547
C -1.930667 -0.195601 -0.719673
C -0.860941 -0.671615 -1.663385
C -4.116137 0.608553 0.957122
C -1.691533 0.455086 0.520886
C -3.279765 -0.438321 -1.106270
C -2.772008 0.845968 1.340861
C -4.349170 -0.043946 -0.284787
C -5.275780 1.044023 1.834188
H 2.133646 1.571982 1.337516
H 3.000572 2.390145 -0.005330
H 3.590537 0.627790 -2.135436
H 3.144387 -1.071644 -1.765426
H 4.668812 1.965621 1.760584
H 4.173452 0.230220 1.879949
H 4.751727 -1.241361 0.052686
H 5.624937 -0.536116 -1.363291
H 1.180093 -0.943122 -2.272389
H -0.662717 0.648053 0.831040
H -3.452764 -0.945829 -2.061176
H -2.569290 1.343486 2.297411
H -5.380322 -0.242542 -0.602757
H -4.931292 1.373826 2.829261
H -5.827254 1.886488 1.373851
H -6.002361 0.223181 1.978331


