%chk=000045692.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045692

0 1
 O  -0.2162000     -0.4714000     -1.4000000E-03
 O   -3.701000      0.2730000      1.3200000E-02
 N   -2.633500      -1.729600     -4.1000000E-03
 C    2.178300     -0.2716000      1.4000000E-03
 C   0.7837000      0.3996000     -9.9999997E-05
 C    2.964900      0.1570000       1.259400    
 C    2.963000      0.1469000      -1.261000    
 C    2.113900      -1.814800      7.4999998E-03
 C   0.4409000       1.677800     -1.7000000E-03
 C   -1.324700      0.3146000     -4.0000002E-03
 C  -0.9740000       1.644600     -4.4000000E-03
 C   -2.595300     -0.3261000     -4.9000001E-03
 H    3.956500     -0.3087000       1.288200    
 H    3.109800       1.243100       1.289100    
 H    2.431600     -0.1277000       2.173900    
 H    3.107500       1.232800      -1.299800    
 H    3.954700     -0.3188000      -1.287400    
 H    2.428500     -0.1454000      -2.172500    
 H    3.116600      -2.257700      9.1000004E-03
 H    1.585900      -2.187300      0.8933000    
 H    1.585700      -2.194500     -0.8751000    
 H    1.077800       2.550100     -1.5000000E-03
 H   -1.649400       2.488500     -6.2000002E-03
 H   -1.787100      -2.290100     -9.3999999E-03
 H   -3.517800      -2.226900      2.4999999E-03


%chk=000045692-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045692

0 1
O -0.218951 -0.437468 -0.247857
O -3.791685 0.362477 -0.117778
N -2.644995 -1.441204 -1.066457
C 2.250158 -0.301585 0.068519
C 0.872985 0.286013 0.288452
C 3.306281 0.626111 0.721838
C 2.528492 -0.416523 -1.460842
C 2.322638 -1.716677 0.717267
C 0.385050 1.425325 0.919932
C -1.398005 0.288862 0.072440
C -1.051581 1.427048 0.783395
C -2.703823 -0.244196 -0.368694
H 4.316199 0.208640 0.560175
H 3.281396 1.638690 0.279462
H 3.145235 0.715308 1.811707
H 2.494523 0.575894 -1.945770
H 3.531155 -0.850915 -1.629721
H 1.781412 -1.064769 -1.951281
H 3.323476 -2.156331 0.551519
H 2.143439 -1.662185 1.806276
H 1.568653 -2.392793 0.277698
H 0.987056 2.176609 1.425959
H -1.758027 2.165922 1.154418
H -1.754720 -1.901253 -1.251321
H -3.516061 -1.853601 -1.395236


