%chk=000036600.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000036600

0 1
 O    5.452300       1.811800     -0.8246000    
 N   -6.482600      0.1209000      5.8699999E-02
 N    5.177500     -0.3622000      5.1700000E-02
 N  -0.3765000     -0.2329000      0.6111000    
 N  -0.9130000     -3.8000001E-03 -0.4984000    
 C   -5.079400      8.9599997E-02 -8.1400000E-02
 C    3.789800     -0.3297000      0.1923000    
 C   -4.336900       1.260800      7.0699997E-02
 C   -4.434200      -1.112300     -0.3722000    
 C    3.145800      0.8729000      0.4837000    
 C    3.046100      -1.500100      4.0700000E-02
 C    1.014800     -0.2650000      0.4719000    
 C   -2.311100      2.8200001E-02 -0.3582000    
 C    1.758400      0.9053000      0.6236000    
 C    1.658500      -1.467700      0.1805000    
 C   -2.949300       1.229900     -6.8099998E-02
 C   -3.046500      -1.143200     -0.5110000    
 C   -7.110800       1.083700      0.9413000    
 C   -7.315300     -0.8005000     -0.6887000    
 C    5.910900      -1.584200      0.5064000    
 C    5.947100      0.7547000     -0.4254000    
 C    7.454400      0.6439000     -0.4046000    
 H   -4.809300       2.215200      0.2852000    
 H   -4.981600      -2.043800     -0.4852000    
 H    3.683200       1.797600      0.6663000    
 H    3.514100      -2.448800     -0.2081000    
 H    1.266300       1.844400      0.8633000    
 H    1.086900      -2.383900      5.6299999E-02
 H   -2.378500       2.147300      4.8599999E-02
 H   -2.551200      -2.084000     -0.7358000    
 H   -7.177400       2.065300      0.4604000    
 H   -8.129400      0.7745000       1.201700    
 H   -6.561400       1.182100       1.884400    
 H   -7.327800      -1.786200     -0.2120000    
 H   -8.350900     -0.4459000     -0.7387000    
 H   -6.968500     -0.9062000      -1.722800    
 H    6.094100      -2.215700     -0.3678000    
 H    5.329000      -2.129200       1.256100    
 H    6.863700      -1.322400      0.9704000    
 H    7.781400     -0.2715000     -0.9042000    
 H    7.815700      0.6698000      0.6265000    
 H    7.888700       1.491700     -0.9436000    


%chk=000036600-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000036600

0 1
O 5.976277 1.942523 -0.306283
N -6.682524 0.106332 0.009431
N 5.390774 -0.296727 0.130076
N -0.280977 0.477800 0.206951
N -1.041990 -0.567425 -0.044297
C -5.294861 -0.035183 0.004645
C 3.963774 -0.088091 0.123725
C -4.434962 1.087978 0.266462
C -4.677518 -1.302065 -0.262321
C 3.373566 1.168191 0.442201
C 3.104719 -1.186252 -0.186032
C 1.120171 0.208549 0.157772
C -2.436736 -0.313392 -0.008531
C 1.974239 1.302597 0.456501
C 1.709481 -1.045062 -0.169822
C -3.043884 0.950541 0.259814
C -3.281640 -1.427719 -0.267261
C -7.293959 1.413729 0.288918
C -7.542098 -1.053756 -0.263384
C 5.863771 -1.687615 0.325957
C 6.320674 0.736937 -0.124596
C 7.800409 0.347660 -0.180990
H -4.867609 2.070926 0.473687
H -5.289760 -2.184545 -0.465574
H 4.009900 2.025367 0.657010
H 3.528122 -2.155804 -0.465711
H 1.512289 2.263889 0.704937
H 1.052974 -1.885528 -0.414430
H -2.392495 1.807541 0.458304
H -2.807817 -2.393934 -0.472074
H -6.995773 2.174964 -0.459671
H -8.390459 1.318755 0.257028
H -7.013605 1.791574 1.292458
H -7.396801 -1.857788 0.486197
H -8.598160 -0.744172 -0.228469
H -7.345129 -1.482145 -1.266694
H 5.870240 -2.264911 -0.619054
H 5.206856 -2.199233 1.047831
H 6.880859 -1.689485 0.740441
H 8.349035 1.238638 -0.519478
H 7.999603 -0.484170 -0.879454
H 8.188123 0.060910 0.814779


