%chk=000008702.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000008702

0 1
 O    2.513000      0.1300000      0.5087000    
 O   -3.630100       1.221000     -0.1436000    
 O   -3.614000     -0.9657000     -0.3364000    
 N    1.175500      -2.315900      0.1281000    
 N   -3.018600      0.1257000     -0.1670000    
 C    1.160600      0.1128000      0.3407000    
 C   0.4775000      -1.088600      0.1513000    
 C   -1.608700      0.1210000      3.3000000E-03
 C  -0.9071000      -1.084500     -1.7400000E-02
 C   0.4588000       1.318300      0.3614000    
 C  -0.9258000       1.322400      0.1927000    
 C    3.274600      0.8674000     -0.4451000    
 C    4.644200      0.2360000     -0.5767000    
 H   -1.418900      -2.033300     -0.1635000    
 H   0.9758000       2.261300      0.5169000    
 H   -1.439500       2.280000      0.2167000    
 H    2.782500      0.8682000      -1.425700    
 H    3.373900       1.901800     -9.8499998E-02
 H    5.260700      0.7847000      -1.294200    
 H    5.156700      0.2211000      0.3909000    
 H    4.558300     -0.8045000     -0.9072000    
 H   0.6745000      -3.183200     -1.0800000E-02
 H    2.180100      -2.324400      0.2460000    


%chk=000008702-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000008702

0 1
O 2.510013 -0.247978 -0.199743
O -3.684655 1.351058 0.091285
O -3.779058 -0.917810 0.310058
N 1.055377 -2.455702 0.105145
N -3.120568 0.187694 0.159787
C 1.128394 -0.038270 -0.120694
C 0.370534 -1.251087 0.043249
C -1.651987 0.114469 0.062247
C -1.035345 -1.156476 0.134110
C 0.489011 1.216527 -0.189862
C -0.915707 1.306286 -0.098549
C 3.389096 0.930779 -0.368061
C 4.824634 0.416691 -0.412982
H -1.660131 -2.045122 0.259319
H 1.074050 2.131798 -0.314401
H -1.437170 2.264229 -0.149076
H 3.114509 1.452111 -1.306978
H 3.231660 1.621477 0.484392
H 5.523382 1.264601 -0.529584
H 5.078988 -0.116854 0.518700
H 4.969026 -0.271789 -1.262936
H 0.560709 -3.334235 0.221663
H 2.069237 -2.450798 0.033512


