%chk=000168380.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168380

1 1
 O   0.2889000     -0.4842000      1.6000001E-02
 O  -0.7372000       3.234700      0.4564000    
 O    1.767700     -0.8530000      -1.715000    
 O    1.295800       2.302100      0.8625000    
 N   -2.582900     -0.8271000      0.1668000    
 C   -1.919100      0.4823000     -6.1500002E-02
 C  -0.6040000      0.2692000     -0.8054000    
 C   -1.675400      -1.762800      0.9764000    
 C   -3.894200     -0.6436000      0.9420000    
 C   -2.907600      -1.512000      -1.167300    
 C   6.2799998E-02   1.612500      -1.099400    
 C    1.521600     -0.7316000     -0.5221000    
 C    2.548300     -0.8468000      0.5911000    
 C   0.2911000       2.397600      0.1698000    
 C    2.632400      -2.292700       1.065700    
 C    3.912000     -0.3446000      0.1239000    
 H   -2.605500       1.118900     -0.6321000    
 H   -1.764100      0.9199000      0.9309000    
 H  -0.7494000     -0.2414000      -1.762000    
 H   -2.312600      -2.542300       1.410200    
 H  -0.9665000      -2.275300      0.3219000    
 H   -1.210700      -1.202800       1.793300    
 H   -3.656200     -0.1962000       1.911600    
 H   -4.542100      1.8900000E-02  0.3607000    
 H   -4.367500      -1.620900       1.075000    
 H   -3.549700      -2.373500     -0.9573000    
 H   -3.436100     -0.7962000      -1.803400    
 H   -1.991600      -1.867800      -1.643900    
 H  -0.5683000       2.210900      -1.768400    
 H    1.027800       1.527800      -1.608600    
 H    2.228100     -0.2106000       1.424900    
 H    3.350700      -2.394600       1.885600    
 H    2.941600      -2.960400      0.2539000    
 H    1.657800      -2.642100       1.423800    
 H    4.636700     -0.3662000      0.9444000    
 H    3.841200      0.6862000     -0.2401000    
 H    4.306600     -0.9572000     -0.6943000    
 H  -0.5774000       3.741900       1.280700    


%chk=000168380-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168380

1 1
O 0.337990 -0.270906 0.115380
O -0.611456 3.072300 0.791690
O 1.497186 -1.028004 -1.767297
O 1.650599 2.840086 0.298684
N -2.632479 -0.789268 0.337531
C -1.968242 0.539945 -0.108530
C -0.605697 0.416589 -0.805841
C -2.044972 -1.256378 1.675382
C -4.126547 -0.517483 0.531079
C -2.462261 -1.888333 -0.709120
C -0.029554 1.807330 -1.187589
C 1.464663 -0.911604 -0.528701
C 2.508210 -1.332235 0.484843
C 0.464208 2.606952 0.009803
C 3.076680 -2.728795 0.137144
C 3.631071 -0.247233 0.493066
H -2.670102 1.016312 -0.815867
H -1.895443 1.178766 0.786199
H -0.673343 -0.172067 -1.740255
H -2.477742 -2.237523 1.924677
H -0.953571 -1.315309 1.573908
H -2.310071 -0.520896 2.450322
H -4.249782 0.350543 1.196400
H -4.587404 -0.308293 -0.446381
H -4.596253 -1.404044 0.983895
H -3.060464 -2.759457 -0.400387
H -2.817922 -1.521799 -1.684282
H -1.402883 -2.172382 -0.774017
H -0.794287 2.392366 -1.730196
H 0.828185 1.651562 -1.860292
H 2.033082 -1.346338 1.483086
H 3.874125 -2.990696 0.853330
H 3.508360 -2.730639 -0.878166
H 2.303133 -3.516457 0.184098
H 4.369070 -0.504673 1.271949
H 3.234710 0.760666 0.705551
H 4.149699 -0.223143 -0.481226
H -0.267498 3.637538 1.536828


