%chk=000125476.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125476

0 1
 O   6.7000002E-02  6.1700001E-02 -0.7550000    
 O  -0.5579000       2.699800      -1.403500    
 O   -1.659300       2.879400      0.5840000    
 O   0.5759000      -2.147400      -1.155800    
 O    3.949900       1.714100       1.784900    
 N   -2.303900     -0.2619000      0.9234000    
 C   -3.203900      0.5867000      0.1221000    
 C   -1.919100      -1.189800     -0.1545000    
 C   -2.189600       1.073800     -0.9357000    
 C   -1.286000     -0.1665000      -1.119300    
 C   -4.158100     -0.4197000     -0.5404000    
 C   -3.263800      -1.651900     -0.7358000    
 C   -2.899000     -0.8756000       2.098800    
 C   -1.464400       2.304600     -0.4766000    
 C   -1.874400      -1.734400       2.814700    
 C   0.8955000      -1.018200     -0.8177000    
 C    2.275500     -0.6492000     -0.4127000    
 C    2.452700      0.3685000      0.5025000    
 C    3.338500      -1.335500     -0.9637000    
 C    3.749200      0.7148000      0.8831000    
 C    4.634800     -0.9892000     -0.5831000    
 C    4.840200      3.5799999E-02  0.3404000    
 H   -3.710900       1.384400      0.6719000    
 H   -1.283800      -2.012600      0.1669000    
 H   -2.715300       1.324200      -1.865500    
 H   -1.321400     -0.5044000      -2.162900    
 H   -4.559800     -5.6200001E-02  -1.491800    
 H   -5.004700     -0.6623000      0.1113000    
 H   -3.669200      -2.507900     -0.1850000    
 H   -3.188600      -1.935100      -1.790800    
 H   -3.212500     -7.9400003E-02   2.784800    
 H   -3.789500      -1.478000       1.892900    
 H   -1.630200      -2.642100       2.254600    
 H  -0.9473000      -1.182100       3.004200    
 H   -2.271100      -2.052300       3.785100    
 H  -7.1500003E-02   3.503500      -1.121000    
 H    1.615200      0.8997000      0.9461000    
 H    3.191300      -2.133000      -1.685900    
 H    5.484400      -1.517200      -1.006300    
 H    5.855200      0.2959000      0.6287000    
 H    4.905700       1.818800       1.931700    


%chk=000125476-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125476

0 1
O 0.058243 -0.071065 -0.583866
O -0.577379 2.641683 -1.578850
O -1.352178 2.798959 0.603280
O 0.818135 -1.826675 -1.920811
O 3.981958 1.787719 1.818692
N -2.404457 -0.365403 1.014270
C -3.223524 0.568486 0.175058
C -2.062890 -1.304665 -0.100378
C -2.171633 0.988893 -0.893816
C -1.323717 -0.328319 -1.052291
C -4.274827 -0.356512 -0.539171
C -3.440412 -1.664960 -0.776307
C -3.050290 -0.920241 2.225076
C -1.347464 2.200722 -0.490974
C -2.062769 -1.764066 3.050936
C 1.055569 -0.899953 -1.104794
C 2.405416 -0.544600 -0.576191
C 2.574748 0.471428 0.393922
C 3.524012 -1.263544 -1.075576
C 3.874280 0.767841 0.858242
C 4.813564 -0.955185 -0.600932
C 4.998701 0.059915 0.365725
H -3.634314 1.410665 0.749434
H -1.449619 -2.165168 0.198875
H -2.642757 1.233977 -1.862473
H -1.271295 -0.703879 -2.087023
H -4.660416 0.083488 -1.475412
H -5.138454 -0.542584 0.122915
H -3.897902 -2.538543 -0.281141
H -3.324208 -1.915036 -1.845789
H -3.385425 -0.056667 2.830188
H -3.960230 -1.530275 1.999821
H -1.739930 -2.667393 2.501769
H -1.165171 -1.168388 3.289944
H -2.532657 -2.095597 3.994884
H -0.021586 3.416608 -1.293198
H 1.715293 1.016937 0.790746
H 3.358838 -2.045407 -1.822653
H 5.682857 -1.502437 -0.980237
H 6.006723 0.295246 0.731983
H 4.922965 1.917795 2.095223


