%chk=000003917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003917

0 1
 O    1.980200      0.1708000      -1.856200    
 O   -2.399200       2.071800      9.3099996E-02
 O   -3.806500     -0.3119000      0.3464000    
 N    4.002900      0.3448000      0.1505000    
 C    1.762800     -0.3935000     -0.5600000    
 C    2.577000      0.3840000      0.4986000    
 C   0.2688000     -0.3679000     -0.3176000    
 C    2.418300     -0.1971000       1.904900    
 C  -0.3792000      0.8512000     -0.2236000    
 C  -0.4155000      -1.564400     -0.1944000    
 C   -1.755600      0.8746000      7.9999998E-04
 C   -1.791900      -1.541000      2.9999999E-02
 C   -2.462000     -0.3215000      0.1276000    
 H    2.116200      -1.431100     -0.6088000    
 H    2.288000       1.440800      0.5169000    
 H    3.055500      0.3337000       2.621500    
 H    1.387000     -0.1022000       2.259600    
 H    2.690000      -1.258400       1.934500    
 H   0.1649000       1.785000     -0.3321000    
 H   9.5299996E-02  -2.519900     -0.2677000    
 H    4.133600      0.7017000     -0.7953000    
 H    4.326000     -0.6221000      0.1323000    
 H   -2.336500      -2.476200      0.1280000    
 H    2.184100       1.115700      -1.753700    
 H   -1.752300       2.789400     -1.8400000E-02
 H   -4.103300      0.6139000      0.3859000    


%chk=000003917-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000003917

0 1
O 2.188334 0.549800 -1.726377
O -2.595580 2.111036 -0.094150
O -3.860029 -0.220585 0.388356
N 4.080204 0.479790 0.293460
C 1.821558 -0.284675 -0.553368
C 2.651213 0.334821 0.622892
C 0.320683 -0.280266 -0.326439
C 2.496612 -0.485241 1.915484
C -0.391386 0.950961 -0.343122
C -0.389846 -1.480167 -0.076894
C -1.773604 0.958691 -0.101228
C -1.782545 -1.468157 0.166190
C -2.481739 -0.247443 0.156339
H 2.169765 -1.330045 -0.713970
H 2.239807 1.351097 0.789151
H 3.058518 0.002299 2.730129
H 1.438917 -0.575713 2.214639
H 2.903431 -1.508421 1.785305
H 0.149219 1.881003 -0.560150
H 0.148027 -2.435439 -0.070006
H 4.218411 0.926947 -0.620646
H 4.598803 -0.404645 0.361108
H -2.339164 -2.389930 0.358342
H 1.626503 0.275919 -2.494609
H -2.075131 2.937044 -0.237352
H -4.172380 0.721519 0.339718


