%chk=000041989.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041989

0 1
 O  -0.2463000      -2.278200     -0.2497000    
 O   -2.637200     -0.8185000      0.3823000    
 O   -1.948900       1.965900      0.1767000    
 N   0.1328000       1.169100     -0.5415000    
 N   -1.418400     -0.2921000      1.4900000E-02
 C   0.7735000     -0.1161000     -0.7376000    
 C    2.018600     -0.2718000      0.1102000    
 C  -0.3402000      -1.060200     -0.2913000    
 C    3.134100      0.6581000     -0.3758000    
 C    1.715100     -2.7999999E-03   1.587100    
 C   -1.183000       1.046500     -7.5199999E-02
 H   0.9610000     -0.2519000      -1.807400    
 H    2.380200      -1.304600      2.3200000E-02
 H   0.5688000       2.061500     -0.7516000    
 H    2.866800       1.713500     -0.2591000    
 H    4.053800      0.4836000      0.1930000    
 H    3.357500      0.4774000      -1.432500    
 H    1.387300       1.026800       1.764900    
 H    2.618500     -0.1591000       2.187900    
 H   0.9527000     -0.6819000       1.981200    
 H   -3.071000     -0.9045000     -0.4836000    


%chk=000041989-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041989

0 1
O -0.214833 -2.344572 -0.275554
O -2.623907 -0.814454 0.514031
O -2.075888 2.010546 -0.032897
N 0.101167 1.210792 -0.606959
N -1.466413 -0.315078 -0.139033
C 0.784886 -0.090763 -0.743994
C 2.058771 -0.260593 0.137914
C -0.324526 -1.102828 -0.365044
C 3.177512 0.690166 -0.347244
C 1.760432 -0.070144 1.641545
C -1.227768 1.115245 -0.228618
H 1.063995 -0.271115 -1.802450
H 2.382483 -1.307943 -0.027338
H 0.525614 2.110164 -0.824281
H 2.908928 1.750755 -0.175691
H 4.111348 0.499178 0.210695
H 3.394550 0.555843 -1.423813
H 1.369065 0.943342 1.846683
H 2.685515 -0.201413 2.230717
H 1.024140 -0.807805 2.007721
H -3.339372 -0.838622 -0.180289


