%chk=000081809.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081809

0 1
 O   -7.034500     -6.6399999E-02  0.1741000    
 N    4.510300      3.5999998E-02 -9.7300000E-02
 N   -1.043300     -0.1729000      0.5814000    
 N   -1.618200      0.1405000     -0.4874000    
 N   -5.771200     -1.8300001E-02  1.8800000E-02
 C    5.236400       1.262200      0.1664000    
 C    5.241600      -1.139800     -0.5255000    
 C    3.111100     -1.6300000E-02  7.3600002E-02
 C    2.417300       1.116600      0.4990000    
 C    2.421100      -1.201300     -0.1828000    
 C    5.152900       2.214500      -1.014500    
 C    5.515500      -2.071700      0.6428000    
 C    1.033800       1.064800      0.6683000    
 C    1.037400      -1.253100     -1.3600000E-02
 C   0.3439000     -0.1200000      0.4119000    
 C   -3.012200      8.6999997E-02 -0.3167000    
 C   -3.698200       1.215500      0.1072000    
 C   -3.692900      -1.093700     -0.5742000    
 C   -5.078000       1.149900      0.2711000    
 C   -5.072800      -1.133400     -0.4027000    
 H    4.922600       1.745800       1.098500    
 H    6.297000       1.031000      0.3328000    
 H    4.751800      -1.663400      -1.354200    
 H    6.210800     -0.8350000     -0.9424000    
 H    2.892900       2.066400      0.7163000    
 H    2.899200      -2.115800     -0.5152000    
 H    5.556500       1.747300      -1.919400    
 H    4.127800       2.524400      -1.235200    
 H    5.739200       3.116500     -0.8122000    
 H    6.086100      -1.558200       1.424300    
 H    4.598700      -2.451600       1.102000    
 H    6.103700      -2.932000      0.3077000    
 H   0.5013000       1.952100       1.001100    
 H   0.5078000      -2.180800     -0.2149000    
 H   -3.175600       2.145400      0.3109000    
 H   -3.166100      -1.983100     -0.9073000    
 H   -5.686500       1.980800      0.5970000    
 H   -5.677400      -2.010600     -0.5809000    


%chk=000081809-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081809

0 1
O -7.368612 -0.157479 0.042434
N 4.577912 0.025034 -0.099775
N -1.073423 -0.542737 -0.110394
N -1.819412 0.526369 0.127000
N -6.041629 -0.016419 0.058403
C 5.260733 1.284352 0.269213
C 5.450052 -1.109130 -0.475465
C 3.188966 -0.090756 -0.090414
C 2.345595 1.048844 0.168440
C 2.539936 -1.347899 -0.340911
C 5.430158 2.264535 -0.915001
C 5.795549 -2.039527 0.710851
C 0.954057 0.937493 0.174408
C 1.144250 -1.448162 -0.338868
C 0.317972 -0.316615 -0.082933
C -3.209934 0.272333 0.089522
C -4.072660 1.378004 0.334651
C -3.824594 -0.992548 -0.173355
C -5.458063 1.225252 0.316979
C -5.208845 -1.116726 -0.184850
H 4.714662 1.771036 1.097487
H 6.255742 1.018768 0.672773
H 4.974861 -1.683859 -1.290972
H 6.382072 -0.688738 -0.897338
H 2.791231 2.031053 0.349627
H 3.130021 -2.249982 -0.521842
H 6.022716 1.804316 -1.726208
H 4.451839 2.555624 -1.334688
H 5.954077 3.180569 -0.585112
H 6.315895 -1.481126 1.509830
H 4.884815 -2.484510 1.147537
H 6.458595 -2.859133 0.377730
H 0.322378 1.810362 0.366499
H 0.653775 -2.409114 -0.528074
H -3.636389 2.359769 0.538839
H -3.192453 -1.863170 -0.366138
H -6.173552 2.028590 0.495672
H -5.748493 -2.045370 -0.376760


