%chk=000026216.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026216

0 1
 O   -2.928900       2.174600      0.4079000    
 N    2.405100     -0.4902000      1.9999999E-04
 N   -1.152000      0.6088000      0.3805000    
 N   -1.681000      -1.661200      0.7806000    
 C    3.061300      0.8092000      0.2025000    
 C    3.078500      -1.267700      -1.049500    
 C   0.9919000     -0.3041000     -0.3281000    
 C    4.528900      0.6311000      0.5951000    
 C    4.546600      -1.513500     -0.6981000    
 C    5.280900     -0.2037000     -0.4350000    
 C   0.2206000      0.4072000      0.7908000    
 C   0.2551000     -0.3469000       2.118000    
 C   -1.738000       1.901100      0.2378000    
 C   -1.974800     -0.5644000      9.9299997E-02
 C  -0.7774000       3.000300     -0.2068000    
 C   -2.946300     -0.3799000     -0.8327000    
 C   -1.465500       4.097200      -1.005000    
 C   -3.736200      -1.491000      -1.106700    
 C   -2.469200      -2.719800      0.4875000    
 C   -3.499500      -2.687000     -0.4383000    
 H    2.614000       1.372700       1.025100    
 H    2.992200       1.429800     -0.7006000    
 H    3.013400     -0.7551000      -2.018400    
 H    2.589400      -2.242800      -1.163200    
 H   0.8858000      0.2601000      -1.265300    
 H   0.5532000      -1.291100     -0.5174000    
 H    4.590900      0.1431000       1.576400    
 H    5.007800       1.611800      0.6952000    
 H    5.037300      -2.054600      -1.515000    
 H    4.609200      -2.152600      0.1920000    
 H    5.368000      0.3614000      -1.371100    
 H    6.298800     -0.4065000     -8.4700003E-02
 H   0.6349000       1.395200      0.9916000    
 H   0.2751000      -1.435300       2.009600    
 H    1.182200     -9.9200003E-02   2.650300    
 H  -0.5706000     -6.2799998E-02   2.780300    
 H   1.1200000E-02   2.572700     -0.8343000    
 H  -0.3164000       3.433700      0.6872000    
 H   -3.114300      0.5280000      -1.397300    
 H  -0.7353000       4.840400      -1.339700    
 H   -2.220500       4.610500     -0.4005000    
 H   -1.966200       3.683200      -1.886400    
 H   -4.527300      -1.428600      -1.847900    
 H   -2.242800      -3.629000       1.034900    
 H   -4.100600      -3.566700     -0.6380000    


%chk=000026216-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026216

0 1
O -2.893549 2.196731 -0.436687
N 2.455718 -0.429912 -0.042352
N -1.184105 0.644093 0.015465
N -1.700542 -1.658443 0.303565
C 3.019792 0.589323 -0.963126
C 3.245242 -1.687932 -0.078742
C 1.001151 -0.645412 -0.234180
C 4.481630 0.923426 -0.600633
C 4.713954 -1.427857 0.314862
C 5.347007 -0.357523 -0.603632
C 0.193906 0.402922 0.584828
C 0.174386 0.072469 2.092373
C -1.716909 1.957234 -0.030716
C -1.990557 -0.490795 -0.346074
C -0.812899 3.114385 0.434386
C -3.015194 -0.416932 -1.333837
C -1.570528 4.454888 0.448496
C -3.747162 -1.583086 -1.631862
C -2.416406 -2.774876 -0.005196
C -3.455952 -2.792611 -0.957940
H 2.399863 1.504695 -0.909929
H 2.978396 0.229125 -2.026364
H 3.219873 -2.155540 -1.099024
H 2.784455 -2.405982 0.624326
H 0.707285 -0.580112 -1.311036
H 0.736280 -1.655849 0.115158
H 4.503925 1.383779 0.406059
H 4.879118 1.665678 -1.319658
H 5.282819 -2.376056 0.260434
H 4.742543 -1.077330 1.364881
H 5.412079 -0.753453 -1.638495
H 6.379973 -0.129126 -0.279732
H 0.734632 1.352980 0.450936
H -0.392675 -0.854491 2.267611
H 1.216330 -0.057721 2.435593
H -0.288452 0.887097 2.679689
H 0.061812 3.188506 -0.244047
H -0.407327 2.899135 1.441203
H -3.232265 0.525999 -1.832527
H -0.895329 5.268309 0.770563
H -2.430411 4.414389 1.138086
H -1.968248 4.695180 -0.551183
H -4.537234 -1.544015 -2.389372
H -2.138941 -3.682376 0.544013
H -4.007983 -3.714513 -1.163382


