%chk=000031718.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031718

0 1
 O   0.6074000     -0.3723000      -2.033100    
 N  -0.8931000       1.316300     -0.1058000    
 N   -1.408000       4.081200      0.5944000    
 C  -0.3629000     -1.9200001E-02  0.1614000    
 C   -1.927000       1.673200      0.8742000    
 C   0.1837000       2.314800     -0.1076000    
 C   -2.473400       3.076300      0.5987000    
 C  -0.3752000       3.714100     -0.3771000    
 C   -1.463000      -1.058300      8.5800000E-02
 C   0.7824000     -0.2851000     -0.8183000    
 C    2.170400     -0.4404000     -0.2944000    
 C   -2.517500     -0.8609000     -0.7872000    
 C   -1.387000      -2.179700      0.8919000    
 C   -3.530300      -1.817500     -0.8566000    
 C   -2.399800      -3.136300      0.8225000    
 C    2.344600     -0.9563000      0.9697000    
 C    3.224100     -6.1400000E-02  -1.094800    
 C   -3.471400      -2.955200     -5.1800001E-02
 C    3.642500      -1.101100       1.459900    
 C    4.522000     -0.2062000     -0.6046000    
 C    4.731200     -0.7261000      0.6727000    
 H   7.7999998E-03 -4.1000000E-03   1.191400    
 H   -1.514500       1.647100       1.893000    
 H   -2.790200       1.002600      0.8738000    
 H   0.9122000       2.131100     -0.9038000    
 H   0.7253000       2.313800      0.8482000    
 H   -3.009900       3.093900     -0.3586000    
 H   -3.198500       3.339300       1.376800    
 H   0.4390000       4.444800     -0.3170000    
 H  -0.7823000       3.771500      -1.394700    
 H   -1.798200       4.990600      0.3498000    
 H   -2.580400     -4.8000002E-03  -1.452300    
 H  -0.5618000      -2.333100       1.579400    
 H   -4.361100      -1.680500      -1.542600    
 H   -2.354200      -4.022000       1.449500    
 H    1.533800      -1.295600       1.601200    
 H    3.076400      0.3507000      -2.088400    
 H   -4.259200      -3.700800     -0.1070000    
 H    3.806500      -1.513800       2.451100    
 H    5.369800      8.6900003E-02  -1.217000    
 H    5.741800     -0.8404000       1.053600    


%chk=000031718-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000031718

0 1
O 0.900660 0.802772 -1.837041
N -0.974254 1.737450 0.080643
N -2.141354 4.297896 0.693005
C -0.203706 0.497280 0.334135
C -2.151198 1.854836 0.984963
C -0.138254 2.967747 0.155828
C -2.989235 3.088537 0.608941
C -0.977001 4.202698 -0.216135
C -1.072048 -0.757949 0.144212
C 0.978786 0.335134 -0.665528
C 2.183069 -0.469057 -0.252621
C -1.786486 -0.927270 -1.069293
C -1.153141 -1.755517 1.144015
C -2.577594 -2.077730 -1.271738
C -1.943332 -2.910297 0.940068
C 2.510338 -0.776609 1.096088
C 3.047264 -0.923723 -1.287983
C -2.657578 -3.074380 -0.268843
C 3.672432 -1.518949 1.399039
C 4.200764 -1.671651 -0.986452
C 4.518249 -1.971914 0.360803
H 0.198171 0.481329 1.378305
H -1.833227 1.951041 2.054467
H -2.770200 0.946472 0.888905
H 0.698276 2.876909 -0.555648
H 0.274866 3.112130 1.186521
H -3.406630 2.922536 -0.414765
H -3.832436 3.186163 1.317427
H -0.356031 5.110826 -0.106811
H -1.272249 4.104632 -1.289098
H -2.675923 5.166132 0.560966
H -1.714123 -0.144808 -1.832566
H -0.606090 -1.628430 2.086632
H -3.129108 -2.201679 -2.210650
H -2.003811 -3.675558 1.722137
H 1.878177 -0.424210 1.916995
H 2.786256 -0.673095 -2.321458
H -3.270610 -3.968713 -0.428230
H 3.919611 -1.741387 2.442845
H 4.853041 -2.021374 -1.794083
H 5.417661 -2.551120 0.598302


