%chk=000075230.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075230

0 1
 O    2.543200       1.593100     -0.9982000    
 N    3.053100     -0.4416000     -9.3999999E-03
 N   -4.186800     -0.2402000     -0.2446000    
 N   -5.388800     -0.3357000      6.6799998E-02
 C    4.474300     -0.3968000     -0.2540000    
 C   0.7638000      0.3891000     -5.8699999E-02
 C    5.021500      -1.803900     -0.4560000    
 C    5.190900      0.3157000      0.8863000    
 C    2.195900      0.5731000     -0.4087000    
 C   -1.894400      4.5800000E-02  0.5940000    
 C  -3.0600000E-02   1.504500      0.1085000    
 C   0.2742000     -0.8922000      8.9199997E-02
 C   -1.374700       1.330900      0.4387000    
 C   -1.070000      -1.065700      0.4192000    
 C   -3.332100     -0.1399000      0.9450000    
 C   -6.239500     -0.4363000      -1.117900    
 H    4.645100      0.1738000      -1.175000    
 H    2.714500      -1.197300      0.5769000    
 H    6.093300      -1.779400     -0.6787000    
 H    4.872600      -2.421600      0.4367000    
 H    4.513500      -2.301800      -1.289200    
 H    4.817100       1.338400       1.006300    
 H    6.268100      0.3705000      0.6984000    
 H    5.036100     -0.2043000       1.838400    
 H   0.3597000       2.511500     -4.1000000E-03
 H   0.8732000      -1.782300     -7.1999997E-02
 H   -2.007000       2.205000      0.5710000    
 H   -1.465700      -2.072200      0.5278000    
 H   -3.444900      -1.043400       1.559500    
 H   -3.663900      0.6963000       1.575800    
 H   -5.990100      -1.325000      -1.707100    
 H   -6.142200      0.4535000      -1.748900    
 H   -7.284800     -0.5183000     -0.8058000    


%chk=000075230-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075230

0 1
O 2.333130 1.399736 -1.126467
N 3.074788 -0.491232 0.001719
N -4.366210 -0.677868 -0.036705
N -5.105646 0.380113 -0.082279
C 4.496207 -0.282722 -0.360391
C 0.668307 0.037785 0.011472
C 5.222972 -1.641813 -0.385570
C 5.171882 0.727840 0.597349
C 2.076308 0.372447 -0.417377
C -2.034846 -0.448353 0.782960
C -0.294258 1.078866 -0.033834
C 0.257986 -1.255921 0.424340
C -1.626906 0.839781 0.348682
C -1.080514 -1.493927 0.804399
C -3.482512 -0.687159 1.187716
C -5.971305 0.420338 -1.291848
H 4.487060 0.158750 -1.373828
H 2.856945 -1.227679 0.675095
H 6.275909 -1.504602 -0.688035
H 5.225068 -2.112823 0.617405
H 4.745740 -2.337030 -1.099032
H 4.618125 1.681792 0.592583
H 6.210635 0.928355 0.276244
H 5.198989 0.336115 1.631667
H 0.033198 2.063967 -0.381814
H 0.961635 -2.097291 0.417043
H -2.362228 1.652465 0.313911
H -1.388116 -2.501282 1.109051
H -3.590787 -1.689653 1.638430
H -3.824406 0.088317 1.901989
H -7.019785 0.510441 -0.954127
H -5.845922 -0.466826 -1.939995
H -5.726843 1.342374 -1.850552


