%chk=000027217.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000027217

0 1
 O   -2.262700      -1.661300     -0.2184000    
 O   -1.077300     -0.2263000       1.851600    
 N   -2.501900       3.904500     -0.1619000    
 C    2.306500      -2.357900      0.7238000    
 C    3.464600      -1.454500      0.2907000    
 C    1.224000      -2.514500     -0.3464000    
 C    3.040500     -9.3000000E-03  1.9400001E-02
 C   7.8599997E-02  -3.400700      0.1500000    
 C    4.246100      0.8634000     -0.3380000    
 C  -0.9914000      -3.583000     -0.9305000    
 C    3.831300       2.315900     -0.5722000    
 C   -1.628800      -2.260600      -1.339100    
 C    5.030900       3.192400     -0.8944000    
 C   -2.315900     -0.2914000     -0.1963000    
 C   -1.721100      0.4245000      0.8426000    
 C   -2.972100      0.3862000      -1.223900    
 C   -1.782500       1.818000      0.8538000    
 C   -3.033800       1.779700      -1.212500    
 C   -2.438900       2.495600     -0.1736000    
 C  -0.4961000      0.5791000       2.875200    
 H    1.861100      -1.955800       1.642400    
 H    2.710400      -3.346300      0.9748000    
 H    4.224000      -1.465300       1.082300    
 H    3.936800      -1.874000     -0.6061000    
 H   0.8362000      -1.524600     -0.5964000    
 H    1.661800      -2.939800      -1.257000    
 H    2.538500      0.3979000      0.9052000    
 H    2.325300      3.1399999E-02 -0.8089000    
 H   0.4721000      -4.387300      0.4234000    
 H  -0.3643000      -2.974500       1.057600    
 H    4.982900      0.8203000      0.4735000    
 H    4.733000      0.4688000      -1.238100    
 H  -0.5583000      -4.071600      -1.810700    
 H   -1.765700      -4.249100     -0.5313000    
 H    3.329600       2.708800      0.3198000    
 H    3.112700       2.369200      -1.398400    
 H  -0.8986000      -1.590600      -1.807200    
 H   -2.400000      -2.466600      -2.091300    
 H    4.711500       4.226200      -1.059500    
 H    5.753000       3.187400     -7.1699999E-02
 H    5.538700       2.845000      -1.799800    
 H   -3.446900     -0.1586000      -2.035300    
 H   -1.338800       2.427700       1.634300    
 H   -3.549800       2.296000      -2.017900    
 H   -2.069900       4.425400      0.5896000    
 H   -2.976700       4.395700     -0.9076000    
 H   0.2993000       1.220800       2.480900    
 H   -1.256100       1.144400       3.425300    
 H  -2.6300000E-02 -0.1024000       3.592200    


%chk=000027217-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000027217

0 1
O -2.177423 -1.450968 -0.141291
O -0.572788 0.861009 -0.312538
N -4.553893 3.659200 0.493703
C 2.432541 -2.719358 0.679477
C 3.754397 -1.945093 0.447563
C 1.362123 -2.494956 -0.413982
C 3.586568 -0.407812 0.418337
C 0.099194 -3.358603 -0.193130
C 4.927308 0.357865 0.362675
C -0.971728 -3.212767 -1.300939
C 4.750121 1.892298 0.296178
C -1.539672 -1.795824 -1.441106
C 6.090476 2.658085 0.260200
C -2.738595 -0.157565 -0.049551
C -1.953955 1.035274 -0.097404
C -4.121129 -0.038915 0.194712
C -2.562171 2.298596 0.075396
C -4.738976 1.214326 0.385252
C -3.961807 2.401994 0.319297
C 0.275806 2.052559 -0.258686
H 2.007585 -2.427942 1.662824
H 2.657293 -3.804422 0.746190
H 4.473886 -2.209885 1.250305
H 4.214150 -2.279381 -0.506374
H 1.068970 -1.428417 -0.429200
H 1.801499 -2.725262 -1.408879
H 3.017404 -0.088529 1.317549
H 2.971315 -0.121141 -0.459003
H 0.395033 -4.426095 -0.124158
H -0.359414 -3.089004 0.777530
H 5.536004 0.099103 1.254458
H 5.510337 0.018578 -0.519395
H -0.540371 -3.501464 -2.282374
H -1.809391 -3.907853 -1.096641
H 4.155500 2.226526 1.171626
H 4.153300 2.149927 -0.603904
H -0.751894 -1.054904 -1.668380
H -2.313216 -1.756500 -2.236194
H 5.934203 3.751705 0.211827
H 6.692896 2.442239 1.162808
H 6.691431 2.362946 -0.620776
H -4.706139 -0.963265 0.245309
H -1.961678 3.213486 0.032060
H -5.815827 1.271831 0.581248
H -4.001381 4.509523 0.452904
H -5.550157 3.740003 0.670031
H 0.031350 2.760766 -1.074880
H 0.183179 2.565918 0.718226
H 1.303234 1.680470 -0.384901


