%chk=000035513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035513

0 1
 O   -5.016800     -0.4561000      0.3682000    
 O   -3.540400      -1.796000       1.287100    
 N   0.9430000     -3.1599998E-02 -0.1253000    
 N    3.174300      0.4568000      0.8795000    
 N    2.932700      -1.091100     -0.8855000    
 N   0.9047000      -1.638600      -1.859100    
 N    5.045800     -0.5448000     -2.3200000E-02
 N   -3.829000     -0.8011000      0.5790000    
 C    1.713300      0.6515000      0.9385000    
 C    1.518600       2.179000      0.8816000    
 C    1.296900      0.1311000       2.325300    
 C  -0.3997000      0.3352000     -0.3486000    
 C    1.638400     -0.9108000     -0.9492000    
 C    3.683500     -0.3664000      1.6100001E-02
 C   -1.450100     -0.4058000      0.2186000    
 C  -0.7161000       1.450100      -1.143100    
 C   -2.778700     -4.2399999E-02 -2.3000001E-03
 C   -2.044500       1.813400      -1.364000    
 C   -3.075800       1.067300     -0.7936000    
 H    2.154500       2.677900       1.624000    
 H    1.806700       2.580300     -9.6500002E-02
 H   0.4895000       2.481300       1.100800    
 H    1.432700     -0.9548000       2.390900    
 H    1.899300      0.5863000       3.120400    
 H   0.2454000      0.3477000       2.541300    
 H   -1.196200      -1.269000      0.8312000    
 H   7.0699997E-02   2.033000      -1.615300    
 H   -2.275700       2.674600      -1.984300    
 H    1.363100      -2.298800      -2.478200    
 H  -0.1011000      -1.556500      -1.948800    
 H   -4.098600       1.379500     -0.9882000    
 H    5.659900     -4.4500001E-02  0.6101000    
 H    5.473900      -1.180900     -0.6869000    


%chk=000035513-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000035513

0 1
O -5.061405 0.574531 0.630086
O -3.590450 -0.324342 2.122595
N 0.960328 -0.038517 -0.136910
N 3.093980 0.762899 0.838060
N 3.048364 -0.991829 -0.874889
N 1.055205 -1.684321 -1.862486
N 5.037592 0.076393 -0.285037
N -3.871561 0.226230 0.988806
C 1.676853 0.490205 1.137460
C 1.037367 1.817638 1.585416
C 1.582707 -0.592697 2.246703
C -0.382078 0.312652 -0.482539
C 1.719876 -0.895870 -0.942821
C 3.677766 -0.021079 -0.057675
C -1.456279 0.076368 0.410356
C -0.653411 0.929894 -1.738979
C -2.756121 0.473077 0.035743
C -1.968252 1.296742 -2.094804
C -3.042929 1.079886 -1.205465
H 1.665054 2.220645 2.396328
H 1.043120 2.547695 0.758233
H 0.008438 1.696588 1.962096
H 2.020295 -1.544069 1.895389
H 2.158321 -0.253514 3.125154
H 0.538420 -0.772090 2.561663
H -1.302591 -0.414719 1.373539
H 0.180689 1.124107 -2.420834
H -2.153856 1.772928 -3.062885
H 1.634572 -2.270086 -2.459574
H 0.048726 -1.823310 -1.828230
H -4.069029 1.367878 -1.446004
H 5.587744 0.728880 0.265774
H 5.456740 -0.492994 -1.013769


