%chk=000114718.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114718

0 1
 O   0.3127000      0.6435000     -0.3736000    
 O  -0.9835000      -2.721700      0.9467000    
 O  -0.7986000      -1.888100      -1.166800    
 O   0.7883000      0.2997000       1.852400    
 N   -3.634500     -0.4473000     -0.8057000    
 C   -3.174100     -0.5155000      0.5955000    
 C   -3.368200      0.9540000      -1.170100    
 C   -1.630300     -0.4814000      0.6222000    
 C   -3.801900      0.7406000       1.203300    
 C   -3.920600       1.720100      3.2299999E-02
 C   -1.850300       1.118900      -1.349200    
 C   -1.071500      0.7730000     -7.3600002E-02
 C   -1.094100      -1.747700      1.0700000E-02
 C    1.134100      0.4076000      0.6861000    
 C    2.546300      0.2947000      0.2417000    
 C    3.550600      0.6761000       1.107600    
 C    2.810500     -0.1880000      -1.023600    
 C    4.877400      0.5703000      0.6899000    
 C    4.137100     -0.2940000      -1.441400    
 C    5.170500      8.5299999E-02 -0.5845000    
 H   -3.546600      -1.424500       1.080400    
 H   -3.882800       1.228800      -2.096300    
 H   -1.329900     -0.4753000       1.675800    
 H   -3.212000       1.155700       2.026800    
 H   -4.803500      0.5184000       1.591300    
 H   -4.977200       1.969000     -0.1240000    
 H   -3.384200       2.655200      0.2228000    
 H   -1.502200      0.4969000      -2.184200    
 H   -1.616900       2.150900      -1.640600    
 H   -1.175100       1.628100      0.6088000    
 H   -4.643000     -0.6055000     -0.8262000    
 H  -0.6357000      -3.556600      0.5670000    
 H    3.334700       1.058300       2.100900    
 H    2.025200     -0.5026000      -1.704300    
 H    5.682100      0.8661000       1.356600    
 H    4.366000     -0.6747000      -2.432500    
 H    6.203500      2.2000000E-03 -0.9096000    


%chk=000114718-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114718

0 1
O 0.317373 0.475338 -0.429981
O -1.705685 -3.057435 0.644663
O -0.821182 -2.106238 -1.274249
O 0.830485 1.063286 1.771986
N -3.746306 -0.503975 -0.710958
C -3.237154 -0.534930 0.692304
C -3.413403 0.895024 -1.135162
C -1.677223 -0.662564 0.587209
C -3.672622 0.835063 1.325316
C -3.823869 1.791637 0.090523
C -1.883560 0.942421 -1.405816
C -1.131777 0.608917 -0.108348
C -1.340795 -1.952541 -0.151590
C 1.207949 0.715601 0.621732
C 2.625021 0.511764 0.207298
C 3.646690 0.825626 1.141320
C 2.964231 0.005678 -1.074911
C 5.000134 0.642173 0.793082
C 4.320741 -0.178266 -1.416638
C 5.339339 0.140849 -0.486919
H -3.630814 -1.408310 1.234637
H -3.960522 1.155118 -2.056576
H -1.255949 -0.737783 1.606686
H -2.944561 1.210440 2.066703
H -4.636991 0.707965 1.848989
H -4.869785 2.130295 -0.019656
H -3.192254 2.694229 0.176978
H -1.630680 0.198863 -2.179364
H -1.584401 1.945245 -1.761330
H -1.213410 1.437589 0.619099
H -4.761835 -0.682577 -0.747946
H -1.502065 -3.892462 0.142497
H 3.357872 1.207093 2.126398
H 2.164596 -0.243932 -1.777867
H 5.788275 0.886266 1.513553
H 4.584729 -0.571934 -2.404122
H 6.391707 -0.003036 -0.756939


