%chk=000014416.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014416

1 1
 O    1.077000     -5.2800000E-02  0.4167000    
 O   -1.074900     -0.3414000       1.972100    
 O   6.6299997E-02  -1.827000     -0.6411000    
 N    4.777900     -3.8100000E-02 -6.2100001E-02
 C    3.427400      0.4323000      0.4586000    
 C    5.068600      -1.434100      0.4700000    
 C    4.751900     -7.0400000E-02  -1.583400    
 C    5.863600      0.9197000      0.4067000    
 C    2.345300     -0.5071000     -3.6300000E-02
 C    6.412000      -1.896000     -5.0900001E-02
 C   -1.307600     -0.1937000      0.5565000    
 C  -5.4000001E-03 -0.8121000      4.1600000E-02
 C   -1.434400       1.291100      0.2082000    
 C   -2.566500     -0.9603000      0.1441000    
 C   -1.974300       2.143200       1.143900    
 C   -2.930700     -0.9629000      -1.182600    
 C   -1.003000       1.717200      -1.026800    
 C   -3.285000      -1.617800       1.115800    
 C   -2.089700       3.496600      0.8267000    
 C   -4.077800      -1.661800      -1.558700    
 C   -1.118400       3.070700      -1.344000    
 C   -4.432100      -2.316800      0.7397000    
 C   -1.661800       3.960400     -0.4171000    
 C   -4.828400      -2.338700     -0.5976000    
 H    3.254800       1.456300      0.1059000    
 H    3.468500      0.4557000       1.554300    
 H    4.313800      -2.134900      0.1078000    
 H    5.048700      -1.398300       1.564600    
 H    4.245000      0.8316000      -1.941400    
 H    5.777300     -6.1799999E-02  -1.965200    
 H    4.238600     -0.9709000      -1.932100    
 H    5.972100      0.8230000       1.491000    
 H    6.805000      0.7083000     -0.1061000    
 H    5.548300       1.937000      0.1528000    
 H    2.303100     -0.5467000      -1.128300    
 H    2.467100      -1.517300      0.3607000    
 H    6.586700      -2.919400      0.3036000    
 H    6.471700      -1.943900      -1.141000    
 H    7.249900      -1.306900      0.3306000    
 H   -2.327100       1.801300       2.111600    
 H   -2.354800     -0.4673000      -1.954800    
 H  -0.5736000       1.046600      -1.764100    
 H   -3.009400      -1.622100       2.164600    
 H  -0.3974000      0.3012000       2.245900    
 H   -2.516000       4.188900       1.546900    
 H   -4.383400      -1.683800      -2.600700    
 H  -0.7844000       3.432200      -2.312100    
 H   -5.017200      -2.844200       1.487600    
 H   -1.752100       5.014100     -0.6643000    
 H   -5.720800      -2.884000     -0.8906000    


%chk=000014416-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000014416

1 1
O 1.464055 1.557776 0.799068
O -0.950194 1.646823 1.753783
O 0.984585 0.132948 -0.968136
N 4.409770 -0.801266 0.458249
C 3.329539 0.021829 1.200792
C 3.752778 -1.504462 -0.773654
C 5.568820 0.100503 0.046007
C 4.930303 -1.860312 1.430733
C 2.891844 1.327974 0.488942
C 4.737399 -2.178837 -1.731698
C -0.906430 1.017156 0.432728
C 0.566109 0.835840 -0.021149
C -1.699881 1.860510 -0.591233
C -1.482530 -0.407045 0.620911
C -2.967287 2.340783 -0.167562
C -1.953936 -1.139316 -0.494675
C -1.243206 2.164169 -1.896370
C -1.499016 -0.994402 1.909571
C -3.759775 3.119303 -1.035369
C -2.446351 -2.451185 -0.321057
C -2.040207 2.948717 -2.762860
C -1.997218 -2.306487 2.078758
C -3.297588 3.428868 -2.336593
C -2.468266 -3.039479 0.965438
H 3.732920 0.238897 2.203921
H 2.457594 -0.643874 1.312392
H 3.141703 -0.742770 -1.283753
H 3.051593 -2.239403 -0.341030
H 5.896987 0.678653 0.924227
H 6.400833 -0.518951 -0.316997
H 5.244443 0.781614 -0.753728
H 4.079045 -2.443485 1.813717
H 5.630964 -2.524066 0.904581
H 5.448538 -1.362662 2.264987
H 3.405790 2.213682 0.888245
H 3.020350 1.274953 -0.607098
H 4.139588 -2.671529 -2.518709
H 5.403747 -1.463907 -2.242224
H 5.346916 -2.966966 -1.257426
H -3.322370 2.097310 0.838995
H -1.952276 -0.682746 -1.489795
H -0.281254 1.785061 -2.257025
H -1.162539 -0.407691 2.768518
H -0.646325 2.587128 1.676702
H -4.737083 3.481847 -0.699569
H -2.824124 -3.008089 -1.185188
H -1.678903 3.179960 -3.770693
H -2.030413 -2.749757 3.080145
H -3.913071 4.034324 -3.010273
H -2.861572 -4.053039 1.099655


