%chk=000111208.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111208

0 1
 O  -0.4941000     -0.2184000      0.2463000    
 O    4.799000      -1.370500     -3.1000001E-03
 O    3.393500     -0.6714000      -1.655900    
 O    1.045500      -1.804200      0.8560000    
 N    1.725000      0.3246000      0.2561000    
 C    3.133300      0.1748000      0.5936000    
 C    3.676400       1.599300      0.6120000    
 C    2.782300       2.334900     -0.3848000    
 C    1.423400       1.682300     -0.1843000    
 C    3.761300     -0.6477000     -0.4908000    
 C   0.7788000     -0.6634000      0.4849000    
 C   -1.541200      -1.172600      0.4546000    
 C   -2.860700     -0.5261000      0.1504000    
 C   -3.558300      0.1238000       1.162400    
 C   -3.373700     -0.5822000      -1.140700    
 C   -4.784800      0.7251000      0.8798000    
 C   -4.600100      1.9099999E-02  -1.423400    
 C   -5.305600      0.6728000     -0.4130000    
 H    3.227500     -0.3390000       1.556000    
 H    4.735800       1.670100      0.3479000    
 H    3.540000       2.034900       1.609300    
 H    2.758200       3.415300     -0.2180000    
 H    3.138400       2.157700      -1.406500    
 H   0.8552000       2.175300      0.6123000    
 H   0.8167000       1.665800      -1.094500    
 H   -1.521300      -1.522700       1.494200    
 H   -1.385400      -2.041100     -0.1975000    
 H    5.223500      -1.917100     -0.6984000    
 H   -3.160700      0.1726000       2.172400    
 H   -2.831400      -1.086700      -1.935700    
 H   -5.334000       1.234600       1.666200    
 H   -5.005500     -2.0900000E-02  -2.430200    
 H   -6.260400       1.141200     -0.6332000    


%chk=000111208-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111208

0 1
O -0.502839 -0.152337 0.285581
O 4.929736 -1.326491 0.004460
O 3.346014 -0.875172 -1.637366
O 1.073506 -1.767318 0.986568
N 1.713783 0.400722 0.382493
C 3.143390 0.162313 0.622754
C 3.742258 1.601089 0.570241
C 2.823361 2.331004 -0.444641
C 1.416214 1.754771 -0.152755
C 3.757924 -0.724360 -0.470070
C 0.798398 -0.604113 0.581757
C -1.563735 -1.203768 0.446120
C -2.890952 -0.552806 0.144875
C -3.652605 0.041204 1.182399
C -3.395097 -0.525357 -1.179790
C -4.893693 0.655191 0.902526
C -4.635564 0.087700 -1.464213
C -5.387840 0.679451 -0.422625
H 3.313662 -0.334763 1.591630
H 4.805765 1.601241 0.281946
H 3.656033 2.055884 1.573373
H 2.854457 3.427068 -0.330740
H 3.124481 2.079876 -1.476712
H 0.869833 2.351495 0.602246
H 0.782658 1.682789 -1.051805
H -1.506950 -1.592183 1.478168
H -1.329968 -2.028940 -0.249626
H 5.329884 -1.886271 -0.714650
H -3.270121 0.022449 2.210060
H -2.812114 -0.983297 -1.987874
H -5.474952 1.109306 1.712701
H -5.016186 0.101865 -2.491511
H -6.352141 1.151958 -0.641120


