%chk=000047168.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047168

0 1
 O    1.165700      -2.307600      0.3943000    
 O   -4.099600      -1.184000      -1.210500    
 N    3.276700      0.7274000     -0.6522000    
 C   0.4947000     -1.8200001E-02  0.1189000    
 C    1.073600     -0.2020000      -1.307400    
 C    1.339200       1.061800      0.8426000    
 C    2.596800     -0.3791000      -1.331200    
 C    2.849900      0.8187000      0.7472000    
 C   -1.008100      0.3014000      5.0500002E-02
 C   0.6452000      -1.311900      0.8947000    
 C    4.728000      0.5667000     -0.7365000    
 C   -1.880300     -0.5981000     -0.5561000    
 C   -1.488100       1.489200      0.5954000    
 C   0.1289000      -1.317300       2.308200    
 C   -3.243200     -0.3078000     -0.6181000    
 C   -2.850900       1.779600      0.5334000    
 C   -3.728500      0.8811000     -7.3299997E-02
 H   0.8160000      0.6773000      -1.915500    
 H   0.6225000      -1.062300      -1.818400    
 H    1.065900       1.167400       1.898900    
 H    1.156500       2.041800      0.3784000    
 H    2.898000      -1.343300     -0.9080000    
 H    2.906100     -0.3982000      -2.384200    
 H    3.357300       1.662500       1.231400    
 H    3.125100     -8.4100001E-02   1.307300    
 H    5.052600      0.5420000      -1.782700    
 H    5.073200     -0.3510000     -0.2465000    
 H    5.236900       1.418100     -0.2711000    
 H   -1.512600      -1.529700     -0.9781000    
 H  -0.8560000       2.218900       1.087600    
 H   0.8157000     -0.7788000       2.964600    
 H  -0.8753000     -0.8987000       2.385100    
 H   7.4699998E-02  -2.354200       2.656000    
 H   -3.230100       2.704000      0.9596000    
 H   -4.789200       1.112700     -0.1180000    
 H   -3.594800      -1.950600      -1.532200    


%chk=000047168-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047168

0 1
O 0.712169 -2.452969 0.266228
O -4.180442 -1.211563 -1.264636
N 3.306808 0.706953 -0.608198
C 0.497480 -0.001977 0.117181
C 1.071339 -0.154132 -1.324957
C 1.328686 1.091427 0.844632
C 2.597362 -0.373401 -1.338052
C 2.840198 0.795396 0.792386
C -1.014686 0.339792 0.049030
C 0.561316 -1.363516 0.882857
C 4.772768 0.570086 -0.701290
C -1.892367 -0.591416 -0.568265
C -1.557684 1.538877 0.574699
C 0.367973 -1.343572 2.394019
C -3.274793 -0.318890 -0.664553
C -2.944965 1.800871 0.468695
C -3.814598 0.881862 -0.148764
H 0.831246 0.767852 -1.886601
H 0.589046 -1.005783 -1.834756
H 1.008891 1.209868 1.896564
H 1.158662 2.057407 0.333100
H 2.831996 -1.379533 -0.908255
H 2.953081 -0.373535 -2.385612
H 3.391089 1.613031 1.294517
H 3.067456 -0.148141 1.362169
H 5.079153 0.577503 -1.762681
H 5.159917 -0.373229 -0.237571
H 5.260828 1.424405 -0.198172
H -1.492969 -1.536456 -0.961271
H -0.913483 2.276875 1.059288
H 1.297320 -1.002436 2.889787
H -0.438788 -0.648179 2.685210
H 0.137116 -2.359989 2.749402
H -3.351495 2.734651 0.872940
H -4.888729 1.068014 -0.236865
H -3.714401 -2.022449 -1.588106


