%chk=000004498.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004498

0 1
 O   -2.576800     -0.7058000     -0.7206000    
 O   -2.154300      0.8011000      0.9368000    
 N    1.829900       1.122100     -0.4857000    
 C  -0.3377000     -8.0600001E-02 -0.3900000    
 C   0.3142000      -1.229000      0.3807000    
 C    1.810900      -1.289100      8.8900000E-02
 C   0.4077000       1.235500     -0.1518000    
 C    2.471500      7.1000002E-02  0.3076000    
 C   -1.765500      7.4900001E-02  3.4200002E-02
 H  -0.3137000     -0.2954000      -1.467200    
 H  -0.1559000      -2.183100      0.1142000    
 H   0.1581000      -1.096800       1.459400    
 H    2.283800      -2.039900      0.7318000    
 H    1.967300      -1.611100     -0.9484000    
 H  -3.5000000E-02   2.023800     -0.7724000    
 H   0.3048000       1.568200      0.8895000    
 H    2.447800      0.3363000       1.371700    
 H    3.526200      6.3999998E-03  1.8500000E-02
 H    2.291100       2.012400     -0.3000000    
 H   -3.517600     -0.6193000     -0.4567000    


%chk=000004498-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000004498

0 1
O -2.546750 -0.969177 -0.545001
O -2.371305 1.060317 0.563672
N 1.844330 1.111896 -0.438513
C -0.340342 -0.007405 -0.387065
C 0.300179 -1.209394 0.376920
C 1.809003 -1.304018 0.050520
C 0.426557 1.296171 -0.067808
C 2.515198 0.040315 0.329008
C -1.812523 0.127715 -0.057816
H -0.249203 -0.214676 -1.471404
H -0.222438 -2.144134 0.108429
H 0.166202 -1.053001 1.467019
H 2.275314 -2.105524 0.654684
H 1.943468 -1.560970 -1.017481
H 0.006226 2.136040 -0.648664
H 0.279515 1.534541 1.014166
H 2.496552 0.230373 1.433470
H 3.573818 -0.013057 0.015748
H 2.368467 1.994746 -0.435538
H -3.505469 -0.849157 -0.303845


