%chk=000026832.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026832

0 1
 O  -9.3599997E-02  -1.593000      -1.179800    
 N   -2.784900     -9.2399999E-02  0.3087000    
 N    1.245800      -1.245600      -1.306600    
 C   -4.194000     -0.3886000      0.6031000    
 C   -2.650800      0.6537000     -0.9503000    
 C   -5.017600      0.8959000      0.7090000    
 C   -3.423900       1.972100     -0.8954000    
 C   -4.891500       1.740800     -0.5534000    
 C   -2.002400      -1.327200      0.2575000    
 C  -0.5437000      -1.047300     -4.5200001E-02
 C   -2.171500      -2.101200       1.566800    
 C   0.3947000     -0.3537000      0.6082000    
 C    1.514800     -0.5055000     -0.2273000    
 C    2.829900      3.8400002E-02 -1.8200001E-02
 C    2.983400       1.238800      0.6729000    
 C    3.946700     -0.6363000     -0.5074000    
 C    4.258700       1.766500      0.8754000    
 C    5.222000     -0.1086000     -0.3047000    
 C    5.377800       1.092900      0.3867000    
 H   -4.315100     -0.8818000       1.572100    
 H   -4.628800      -1.044300     -0.1627000    
 H   -3.009800      5.5700000E-02  -1.798900    
 H   -1.609700      0.9215000      -1.159600    
 H   -4.679300       1.480200       1.574400    
 H   -6.070900      0.6482000      0.8829000    
 H   -3.347200       2.487200      -1.859700    
 H   -2.972800       2.631900     -0.1433000    
 H   -5.385400       1.228100      -1.387900    
 H   -5.401900       2.700400     -0.4169000    
 H   -2.385000      -1.973100     -0.5471000    
 H   -1.423200      -2.900900       1.634800    
 H   -3.145300      -2.595300       1.643100    
 H   -2.026900      -1.460400       2.445000    
 H   0.3009000      0.1781000       1.543700    
 H    2.130100       1.791900       1.057000    
 H    3.858000      -1.578400      -1.042700    
 H    4.380400       2.703100       1.411800    
 H    6.093900     -0.6338000     -0.6836000    
 H    6.370800       1.503800      0.5443000    


%chk=000026832-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026832

0 1
O 0.077361 -2.174051 -0.843342
N -2.810635 -0.168524 0.202048
N 1.495595 -1.805711 -0.866244
C -4.200191 -0.267881 0.725748
C -2.801032 0.526289 -1.118628
C -4.825920 1.132682 0.893818
C -3.378832 1.950372 -1.008742
C -4.813768 1.916860 -0.436846
C -2.095100 -1.478151 0.122589
C -0.619702 -1.221861 -0.084948
C -2.268056 -2.354212 1.391701
C 0.267623 -0.268385 0.372964
C 1.565082 -0.659913 -0.129367
C 2.865895 0.014008 0.062921
C 2.950013 1.231641 0.789157
C 4.055307 -0.547806 -0.479000
C 4.193568 1.874339 0.969556
C 5.295098 0.095963 -0.297178
C 5.371070 1.309986 0.427624
H -4.182513 -0.772011 1.705679
H -4.846461 -0.880027 0.041427
H -3.395410 -0.056275 -1.871380
H -1.760435 0.568431 -1.485770
H -4.244540 1.688564 1.654941
H -5.859336 1.023489 1.275747
H -3.365823 2.426255 -2.008031
H -2.727257 2.550467 -0.344295
H -5.488502 1.420031 -1.164727
H -5.199205 2.943055 -0.287584
H -2.452477 -2.080628 -0.752792
H -1.578278 -3.213744 1.336698
H -3.293487 -2.751788 1.476608
H -2.027467 -1.772405 2.298975
H 0.011956 0.592289 0.983051
H 2.045408 1.681621 1.212540
H 3.989468 -1.486613 -1.038132
H 4.243534 2.813626 1.531295
H 6.203834 -0.347220 -0.719232
H 6.336314 1.809035 0.567850


