%chk=000096467.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096467

0 1
 O    5.417800      -1.354400      0.9477000    
 O    5.149400     -0.4053000      -1.098300    
 N   0.1006000      4.7200002E-02 -0.3807000    
 C    1.186300      0.8663000     -0.2126000    
 C    2.538900      0.4401000     -0.6166000    
 C   -1.026600      0.6793000      7.5700000E-02
 C   0.7453000       2.039400      0.3591000    
 C  -0.6548000       1.921000      0.5413000    
 C    3.331100     -0.2849000      0.4874000    
 C   -2.326800      5.6100000E-02  2.6500000E-02
 C   -3.472000      0.8400000     -0.1143000    
 C   -2.438500      -1.331000      0.1211000    
 C    4.713800     -0.6657000      1.5900001E-02
 C   -4.728900      0.2366000     -0.1606000    
 C   -3.695300      -1.934400      7.4699998E-02
 C   -4.840400      -1.150500     -6.6100001E-02
 H    2.473600     -0.2091000      -1.500200    
 H    3.105500       1.322600     -0.9430000    
 H   0.1356000     -0.8759000     -0.7917000    
 H    1.363000       2.887900      0.6191000    
 H   -1.308000       2.667700      0.9723000    
 H    3.433200      0.3651000       1.363600    
 H    2.802700      -1.197800      0.7847000    
 H   -3.413900       1.922400     -0.1977000    
 H   -1.568100      -1.970300      0.2454000    
 H   -5.620600      0.8466000     -0.2717000    
 H   -3.782900      -3.014200      0.1513000    
 H   -5.819000      -1.620300     -0.1018000    
 H    6.308400      -1.605700      0.6222000    


%chk=000096467-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096467

0 1
O 5.339552 -1.427763 1.153007
O 5.319321 -0.546731 -0.995794
N 0.148802 0.068883 -0.399756
C 1.243564 0.935153 -0.313193
C 2.639334 0.502437 -0.673337
C -1.031060 0.713922 0.008481
C 0.754079 2.159033 0.174803
C -0.659429 2.024051 0.372987
C 3.331985 -0.291147 0.464856
C -2.338851 0.049048 0.014176
C -3.535577 0.820085 0.081690
C -2.462948 -1.369983 -0.046397
C 4.732053 -0.737155 0.091617
C -4.799832 0.199005 0.090043
C -3.730347 -1.989956 -0.050032
C -4.908302 -1.210884 0.019219
H 2.644753 -0.111224 -1.595110
H 3.244913 1.395203 -0.904988
H 0.184372 -0.868856 -0.796313
H 1.357865 3.045663 0.364387
H -1.331673 2.785668 0.764968
H 3.392209 0.319887 1.384896
H 2.748144 -1.188928 0.745325
H -3.467793 1.913052 0.108706
H -1.566929 -2.003833 -0.057885
H -5.704799 0.815049 0.141073
H -3.798482 -3.082887 -0.095137
H -5.892057 -1.692439 0.019568
H 6.256532 -1.705551 0.880838


