%chk=000044414.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044414

0 1
 O    3.603600      0.5390000      7.3100001E-02
 O    3.487000      -1.735000      0.4107000    
 N   -4.686100      0.4202000      0.3636000    
 N   -2.593300     -1.6300000E-02 -0.7499000    
 C    1.512800     -0.4893000     -7.4900001E-02
 C   -1.215700     -0.1752000     -0.5226000    
 C   0.6665000      -1.596900     -2.7799999E-02
 C   0.9917000      0.7758000     -0.3464000    
 C  -0.7013000      -1.439400     -0.2523000    
 C  -0.3760000      0.9332000     -0.5707000    
 C    2.938500     -0.6534000      0.1615000    
 C   -3.318500      0.2233000      0.2975000    
 C    5.019000      0.5076000      0.2858000    
 C   -5.511000      0.3712000     -0.8353000    
 C   -5.386900      0.4243000       1.640000    
 C    5.569700       1.910900      0.1476000    
 H    1.051800      -2.591200      0.1823000    
 H    1.612400       1.666200     -0.3928000    
 H   -1.353700      -2.307700     -0.2146000    
 H  -0.7741000       1.922000     -0.7824000    
 H   -2.855600      0.2749000       1.301000    
 H    5.227200      0.1238000       1.290600    
 H    5.483900     -0.1489000     -0.4579000    
 H   -6.474400      0.8682000     -0.6804000    
 H   -5.016400      0.8766000      -1.671400    
 H   -5.700800     -0.6691000      -1.118200    
 H   -5.647800     -0.5990000       1.927600    
 H   -4.765800      0.8596000       2.430000    
 H   -6.306400       1.016600       1.587100    
 H    6.651800       1.923800      0.3044000    
 H    5.351400       2.314300     -0.8467000    
 H    5.098900       2.582600      0.8731000    


%chk=000044414-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044414

0 1
O 3.787423 0.608360 -0.040549
O 3.499231 -1.548961 0.799491
N -4.896584 0.103616 0.315980
N -2.635090 0.470641 -0.266539
C 1.547001 -0.214992 0.191029
C -1.264698 0.206261 -0.084510
C 0.628071 -1.241467 0.536674
C 1.048769 1.018701 -0.313094
C -0.754820 -1.041245 0.397950
C -0.332572 1.221846 -0.453894
C 2.996019 -0.482222 0.356419
C -3.544003 -0.015996 0.549979
C 5.259221 0.420202 0.099464
C -5.397875 0.744770 -0.907911
C -5.885901 -0.348501 1.299620
C 5.917433 1.696330 -0.416634
H 1.026947 -2.193432 0.903747
H 1.758102 1.803731 -0.589681
H -1.449656 -1.857989 0.627139
H -0.728666 2.164577 -0.844135
H -3.303035 -0.527667 1.501621
H 5.488092 0.226897 1.163617
H 5.555991 -0.473547 -0.479289
H -5.997215 1.642693 -0.661199
H -4.530369 1.041786 -1.516666
H -6.033168 0.043600 -1.482739
H -6.578706 -1.086086 0.849811
H -5.379410 -0.825216 2.155744
H -6.487014 0.501109 1.680284
H 7.016462 1.612331 -0.331844
H 5.662821 1.869557 -1.476384
H 5.589597 2.573013 0.168098


