%chk=000016927.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016927

0 1
 O    4.242700      0.5900000      0.2617000    
 O    1.346400      -3.139700      5.2000001E-02
 O  -0.4438000       2.606600      0.1026000    
 O   -1.195000      -2.681300     -4.8900001E-02
 N    2.140300       2.369800      0.2102000    
 C   0.5735000      0.4648000      9.9299997E-02
 C   0.3733000     -0.9167000      5.9599999E-02
 C   -1.943800      0.8325000     -2.3000001E-03
 C   -2.144000     -0.5490000     -4.2100001E-02
 C  -0.5778000       1.389800      7.0000000E-02
 C  -0.9928000      -1.474000     -1.2800000E-02
 C    1.873500      0.9803000      0.1674000    
 C    1.473000      -1.782800      8.8100001E-02
 C    2.966400      0.1137000      0.1957000    
 C    2.766600      -1.264800      0.1561000    
 C   -3.043500       1.698400     -3.1199999E-02
 C   -3.443900      -1.064400     -0.1109000    
 C   -4.337200       1.180600     -9.9399999E-02
 C   -4.537000     -0.1979000     -0.1391000    
 C    4.902900      0.8441000     -0.9759000    
 H    3.627000      -1.929700      0.1796000    
 H   -2.917300       2.777300     -1.6000000E-03
 H   -3.628100      -2.134900     -0.1432000    
 H   -5.189900       1.853100     -0.1217000    
 H   -5.545200     -0.5985000     -0.1924000    
 H    3.095600       2.694000      0.2852000    
 H    1.389100       3.044400      0.1967000    
 H    2.227200      -3.550700      8.0799997E-02
 H    5.885000       1.272700     -0.7584000    
 H    4.337400       1.557400      -1.583600    
 H    5.044400     -8.9199997E-02  -1.530100    


%chk=000016927-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000016927

0 1
O 4.127213 1.101350 -0.261748
O 1.416860 -2.989714 -0.424776
O -0.619970 2.779726 0.141687
O -1.206453 -2.712212 -0.247149
N 1.952510 2.595687 -0.023542
C 0.463212 0.623808 -0.087475
C 0.324245 -0.818405 -0.191127
C -2.063788 0.864454 0.071933
C -2.209005 -0.545541 -0.028658
C -0.718411 1.491463 0.046874
C -1.021813 -1.453614 -0.162559
C 1.759208 1.241678 -0.114487
C 1.502589 -1.599139 -0.319432
C 2.920975 0.395361 -0.246787
C 2.792214 -0.988027 -0.346840
C -3.213225 1.687450 0.197068
C -3.505663 -1.118094 -0.002493
C -4.496519 1.110916 0.221996
C -4.643087 -0.297929 0.121843
C 5.371452 0.336094 -0.390030
H 3.680453 -1.622641 -0.448637
H -3.066057 2.769101 0.271714
H -3.585038 -2.206841 -0.081349
H -5.382541 1.747879 0.318345
H -5.642565 -0.746091 0.141519
H 2.902241 2.960964 -0.055240
H 1.097744 3.170051 0.068266
H 2.324877 -3.383727 -0.496146
H 6.175500 1.085392 -0.376472
H 5.393572 -0.222094 -1.345143
H 5.494274 -0.361407 0.460243


