%chk=000090040.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000090040

0 1
 O   -3.778700     -0.2088000     -0.1729000    
 O    1.331200      -2.245000      -1.112100    
 O   -2.153200      0.1786000       1.365200    
 N   0.1532000       1.915200     -0.3810000    
 N    1.415000       2.075700      5.3199999E-02
 N    3.089400      0.4577000      0.6153000    
 N   0.5716000      -2.223200       1.036800    
 C  -0.2201000      0.6105000     -0.5195000    
 C   0.8736000     -0.1341000     -0.1508000    
 C   -1.566200      0.2325000     -0.9840000    
 C    1.849900      0.8204000      0.1921000    
 C   0.9415000      -1.566200     -0.1386000    
 C   -2.507200      8.6700000E-02  0.1963000    
 H   -1.535100     -0.7224000      -1.519300    
 H   -1.971700      0.9964000      -1.656700    
 H  -0.3989000       2.744200     -0.5626000    
 H    3.382100     -0.5102000      0.7087000    
 H    3.792900       1.146600      0.8629000    
 H   0.2551000      -1.719000       1.859100    
 H   0.6079000      -3.234900       1.102200    
 H   -4.368000     -0.3227000      0.6031000    


%chk=000090040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000090040

0 1
O -3.413562 0.859459 0.449461
O 2.403290 -1.956668 0.439744
O -2.515346 -1.200090 1.025061
N 0.084567 1.859626 -0.561094
N 1.407180 2.143207 -0.190896
N 3.199791 0.706264 0.548126
N 0.129990 -2.432112 0.456309
C -0.252256 0.528471 -0.473165
C 0.903820 -0.137537 0.003399
C -1.604924 0.023080 -0.919588
C 1.905986 0.905836 0.140552
C 1.189845 -1.551852 0.308209
C -2.534021 -0.200230 0.266804
H -1.478214 -0.943314 -1.437197
H -2.071949 0.737612 -1.616796
H -0.500896 2.631381 -0.872902
H 3.495650 -0.270992 0.639568
H 3.840924 1.490128 0.624502
H -0.832211 -2.122008 0.642715
H 0.379060 -3.399735 0.664253
H -3.972422 0.707473 1.260334


