%chk=000087945.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000087945

0 1
 O   -2.332900       1.198200     -0.2675000    
 O   -2.197900     -0.3592000       1.285100    
 N    1.948300      0.2773000     -0.1401000    
 N   -1.780500      0.2468000      0.2934000    
 C  -0.4962000     -0.2322000     -0.2947000    
 C   0.6239000      0.5527000      0.4104000    
 C  -0.5851000      5.6699999E-02  -1.793100    
 C  -0.4272000      -1.735400     -2.0700000E-02
 C    2.292800      -1.134000      3.3700000E-02
 C    2.954800       1.129300      0.4935000    
 H   0.6041000      0.3575000       1.492800    
 H   0.4187000       1.627100      0.2974000    
 H  -0.5862000       1.130800      -2.015600    
 H   -1.483800     -0.3833000      -2.243200    
 H   0.2738000     -0.3703000      -2.324000    
 H  -0.1353000      -1.975500       1.007400    
 H   -1.415000      -2.199600     -0.1631000    
 H   0.1869000      -2.291300     -0.7293000    
 H    1.986300      -1.560000      0.9935000    
 H    3.386000      -1.251000      1.0200000E-02
 H    1.985800      -1.728500     -0.8261000    
 H    3.041100      0.9373000       1.569300    
 H    2.710300       2.188000      0.3507000    
 H    3.937600      0.9754000      3.3799998E-02


%chk=000087945-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000087945

0 1
O -2.621997 1.102344 -0.033728
O -2.107234 -0.469681 1.531059
N 1.915216 -0.154562 0.129000
N -1.877151 0.158332 0.425674
C -0.571429 -0.220216 -0.332920
C 0.590803 0.180675 0.663725
C -0.493846 0.565051 -1.646844
C -0.591431 -1.742898 -0.567694
C 2.649025 -1.205204 0.859246
C 2.758420 0.992812 -0.253784
H 0.399516 -0.344631 1.619056
H 0.508578 1.268841 0.863571
H -0.530839 1.654092 -1.477334
H -1.325582 0.300009 -2.320968
H 0.459255 0.304288 -2.138317
H -0.755329 -2.288295 0.376406
H -1.384413 -2.024251 -1.282611
H 0.385173 -2.029585 -0.993952
H 3.034498 -0.863567 1.850969
H 3.512877 -1.542241 0.257498
H 1.995559 -2.077368 1.029349
H 3.153262 1.560324 0.624579
H 2.184545 1.693580 -0.883434
H 3.622824 0.638951 -0.844745


