%chk=000105992.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105992

0 1
 O   -4.227000      7.0699997E-02 -0.8872000    
 O   -3.627400      0.7906000       1.220900    
 N   0.4585000      0.2923000      6.7800000E-02
 N    3.322300       4.208800     -0.3096000    
 C  -0.8614000      0.4893000      0.6217000    
 C    1.171400       1.451800     -0.4692000    
 C    1.050800     -0.9771000      2.6699999E-02
 C   -1.933600      0.1575000     -0.4101000    
 C    2.028800       2.109300      0.6070000    
 C    2.325000      -1.144300     -0.5270000    
 C   0.3743000      -2.089800      0.5394000    
 C   -3.339600      0.3833000      0.1039000    
 C    2.915200      -2.407500     -0.5673000    
 C   0.9645000      -3.352900      0.4991000    
 C    2.235000      -3.511800     -5.4200001E-02
 C    2.751300       3.282600      9.3500003E-02
 C   -5.608200      0.2470000     -0.5555000    
 H   -1.010800     -5.6299999E-02   1.561100    
 H  -0.9823000       1.541700      0.9146000    
 H   0.4291000       2.189600     -0.8077000    
 H    1.732700       1.232800      -1.384600    
 H   -1.796500      0.7899000      -1.295700    
 H   -1.860900     -0.8882000     -0.7273000    
 H    1.399100       2.413700       1.451700    
 H    2.753700       1.391500       1.008000    
 H    2.918200     -0.3288000     -0.9249000    
 H  -0.6152000      -2.032000      0.9803000    
 H    3.906400      -2.531600     -0.9938000    
 H   0.4355000      -4.213600      0.8981000    
 H    2.694900      -4.495200     -8.4600002E-02
 H   -6.205600     -3.5500001E-02  -1.426400    
 H   -5.809400       1.295600     -0.3167000    
 H   -5.881900     -0.4005000      0.2831000    


%chk=000105992-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105992

0 1
O -4.319450 0.580770 -0.904760
O -3.698847 -0.463512 1.083969
N 0.445027 0.314466 0.039523
N 3.357290 4.279661 -0.196208
C -0.943242 0.462645 0.499191
C 1.142860 1.514589 -0.424210
C 1.073949 -0.951152 0.020137
C -1.982920 0.089554 -0.599239
C 2.088540 2.106914 0.678972
C 2.419426 -1.105915 -0.439863
C 0.386158 -2.124754 0.462748
C -3.386543 0.023542 -0.029081
C 3.037276 -2.372874 -0.455369
C 1.021327 -3.382888 0.445930
C 2.350625 -3.525793 -0.012587
C 2.800292 3.306963 0.214963
C -5.734321 0.534421 -0.453183
H -1.130531 -0.154410 1.395798
H -1.101533 1.512211 0.807035
H 0.397591 2.281227 -0.698440
H 1.731105 1.307059 -1.336604
H -1.951164 0.796819 -1.444014
H -1.729025 -0.912088 -0.996699
H 1.491480 2.361047 1.574631
H 2.822436 1.339360 0.986012
H 2.994682 -0.244702 -0.793149
H -0.643194 -2.066657 0.828177
H 4.069367 -2.453999 -0.815717
H 0.464722 -4.260349 0.794894
H 2.837087 -4.506198 -0.024090
H -6.302531 1.005180 -1.267093
H -5.850636 1.092311 0.490906
H -6.050403 -0.510548 -0.297482


