%chk=000114504.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114504

0 1
 O   -2.438000      -2.947100      1.6000001E-02
 O   -2.246500       2.950500     -6.8200000E-02
 N  -0.4396000     -5.9000000E-02  5.3900000E-02
 C   0.9816000      0.2434000      0.2121000    
 C    1.627000     -0.7700000       1.163800    
 C    1.671700      0.2340000      -1.156200    
 C  -0.6190000      -1.402000     -0.4972000    
 C   -1.081900      0.9355000     -0.8053000    
 C   -2.068500      -1.729300     -0.6334000    
 C  -0.9828000       2.297800     -0.2043000    
 C    3.130400     -0.5319000       1.294100    
 C    3.175000      0.4715000      -1.022900    
 C    3.819900     -0.5286000     -6.7400001E-02
 C   -2.950100      -1.730100      0.5743000    
 C   -1.579200       2.565300       1.140600    
 H    1.117400       1.228500      0.6760000    
 H    1.538400      -1.804800      0.8232000    
 H    1.160700     -0.7131000       2.155000    
 H    1.298700       1.021800      -1.817500    
 H    1.568200     -0.7160000      -1.687400    
 H  -0.1903000      -1.537300      -1.493900    
 H  -0.1973000      -2.175600      0.1473000    
 H  -0.7261000      0.9414000      -1.841100    
 H   -2.153000      0.7119000     -0.8878000    
 H   -2.494600      -1.522100      -1.605000    
 H  -0.1405000       2.884400     -0.5422000    
 H    3.574400      -1.306000       1.930500    
 H    3.304900      0.4290000       1.793800    
 H    3.352400       1.490700     -0.6577000    
 H    3.651000      0.3991000      -2.007500    
 H    4.881300     -0.2867000      5.7799999E-02
 H    3.770600      -1.533800     -0.5038000    
 H   -2.549300      -1.414600       1.528800    
 H   -4.003200      -1.521800      0.4361000    
 H   -2.009500       1.749400       1.706500    
 H   -1.144100       3.352400       1.742900    


%chk=000114504-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114504

0 1
O -2.703847 -2.932052 -0.486748
O -2.110995 3.595674 -0.408468
N -0.426669 0.167827 -0.258398
C 1.048454 0.243665 -0.044126
C 1.510291 -0.665337 1.122443
C 1.910266 -0.028671 -1.313990
C -0.931983 -1.114739 -0.815367
C -1.005131 1.349959 -0.947283
C -2.222395 -1.539762 -0.129031
C -1.022288 2.594531 -0.071335
C 3.016126 -0.466190 1.421578
C 3.419014 0.160325 -1.019168
C 3.879201 -0.723733 0.163190
C -2.230703 -2.606868 0.915707
C -2.131600 2.833809 0.899966
H 1.259710 1.284244 0.280669
H 1.342005 -1.731480 0.864365
H 0.892741 -0.441903 2.012520
H 1.604751 0.643338 -2.140123
H 1.734866 -1.068272 -1.659720
H -1.105134 -1.063221 -1.915668
H -0.188032 -1.912825 -0.654255
H -0.486590 1.589894 -1.907663
H -2.054325 1.130926 -1.210861
H -3.032517 -0.798023 -0.108643
H -0.057770 3.081265 0.126244
H 3.329740 -1.135707 2.245592
H 3.185070 0.572907 1.773036
H 3.611210 1.225883 -0.774105
H 4.013736 -0.069891 -1.924350
H 4.947278 -0.534983 0.385698
H 3.795078 -1.792193 -0.124562
H -1.281753 -3.081508 1.199206
H -3.017116 -2.621395 1.680118
H -2.929850 2.085521 0.985560
H -1.950740 3.445788 1.791873


