%chk=000037046.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000037046

0 1
 O   0.5908000      -3.425900      0.1262000    
 O    3.310000       2.219900      -1.089600    
 O    3.796100       2.063200       1.028700    
 N    1.305500      -1.355900      0.2079000    
 N    1.556100      -2.674800     -4.8099998E-02
 N    3.583300     -0.8999000     -0.2976000    
 N    2.082000      0.8941000      0.2146000    
 N    3.110100       1.752700      4.2399999E-02
 C  -0.8486000     -0.5028000     -0.6784000    
 C  -3.5599999E-02 -0.8531000      0.5704000    
 C   -2.207700      3.3199999E-02 -0.3366000    
 C   -3.279400     -0.8426000     -0.2021000    
 C   -2.383500       1.400800     -0.1568000    
 C   -4.542900     -0.3445000      0.1159000    
 C   -3.647000       1.898800      0.1612000    
 C    2.337500     -0.3893000      4.4300001E-02
 C   -4.726700       1.026100      0.2975000    
 H  -0.9532000      -1.386900      -1.321100    
 H  -0.3092000      0.2313000      -1.290900    
 H  -0.5724000      -1.601100       1.169400    
 H   4.2599998E-02  1.5799999E-02   1.236800    
 H   -3.147000      -1.912300     -0.3393000    
 H   -1.548900       2.089100     -0.2584000    
 H   -5.383500      -1.023900      0.2227000    
 H   -3.790200       2.966000      0.3035000    
 H   -5.710400       1.413900      0.5455000    
 H    3.761900      -1.891800     -0.4033000    
 H    4.383500     -0.2931000     -0.4403000    


%chk=000037046-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000037046

0 1
O 0.613205 -3.471403 0.147436
O 4.393971 1.462774 -0.304200
O 2.783092 3.033294 0.074378
N 1.321533 -1.322258 0.190046
N 1.613048 -2.700698 0.011101
N 3.634199 -1.035678 -0.260719
N 2.109732 0.850321 0.121517
N 3.152000 1.818631 -0.044374
C -0.841900 -0.439004 -0.774933
C -0.039816 -0.827808 0.501075
C -2.222857 0.065219 -0.383183
C -3.329827 -0.819407 -0.322736
C -2.413620 1.425036 -0.024694
C -4.601594 -0.356330 0.084106
C -3.683794 1.890738 0.382299
C 2.436372 -0.460741 0.003435
C -4.781865 1.000736 0.438845
H -0.920435 -1.321156 -1.436069
H -0.278624 0.347749 -1.308047
H -0.554096 -1.644256 1.037480
H 0.062662 0.048142 1.158493
H -3.196031 -1.872118 -0.602340
H -1.565660 2.119916 -0.072490
H -5.449432 -1.049650 0.120918
H -3.817985 2.944479 0.651198
H -5.767816 1.361665 0.752288
H 3.695835 -2.053176 -0.322729
H 4.422904 -0.388017 -0.393599


