%chk=000057877.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057877

0 1
 O   -1.277900      0.7618000      0.6452000    
 O    4.540300      -1.211100     -0.4928000    
 O    4.888600      0.9972000      -1.041000    
 N   -4.518200     -0.1213000     -0.8734000    
 C   4.4799998E-02  0.5973000      0.3266000    
 C   0.6354000     -0.6621000      0.4294000    
 C   0.8007000       1.689500     -9.9299997E-02
 C  -0.1570000      -1.842800      0.8856000    
 C   0.1862000       3.045400     -0.2163000    
 C   -3.513700      5.3800002E-02  0.1751000    
 C   -2.216900      0.5915000     -0.4084000    
 C    1.981900     -0.8295000      0.1061000    
 C    2.147300       1.522100     -0.4225000    
 C    2.737900      0.2627000     -0.3198000    
 C  -0.1065000      -2.021100       2.408700    
 C   0.3055000       3.849900       1.084800    
 C   -5.862300     -0.1308000     -0.2970000    
 C   -4.271900      -1.356700      -1.616100    
 C  -0.9425000      -3.204600       2.869000    
 C  -0.2921000       5.241300      0.9479000    
 C   -6.042100      -1.298900      0.6576000    
 C   -5.270000      -1.524500      -2.749200    
 C    4.141700      8.7600000E-02 -0.6559000    
 C    5.907800      -1.511100     -0.7921000    
 C    6.153100      -2.985500     -0.5523000    
 H   -1.194400      -1.781900      0.5454000    
 H   0.2349000      -2.749700      0.4051000    
 H  -0.8606000       2.993000     -0.5249000    
 H   0.6836000       3.596400      -1.026200    
 H   -3.315300     -0.8680000      0.7357000    
 H   -3.852100      0.7865000      0.9209000    
 H   -1.809300     -8.1200004E-02  -1.171300    
 H   -2.403400       1.559600     -0.8850000    
 H    2.413800      -1.822600      0.1994000    
 H    2.731600       2.378400     -0.7516000    
 H   0.9306000      -2.164100       2.735900    
 H  -0.4724000      -1.113800       2.904600    
 H  -0.2028000       3.320800       1.900100    
 H    1.359200       3.941000       1.375400    
 H   -6.029400      0.8073000      0.2485000    
 H   -6.640900     -0.1372000      -1.067000    
 H   -3.287000      -1.301100      -2.093600    
 H   -4.243100      -2.256800     -0.9917000    
 H  -0.8876000      -3.307900       3.957200    
 H  -0.5833000      -4.136000       2.420100    
 H   -1.993500      -3.072300       2.592500    
 H   0.2188000       5.811900      0.1658000    
 H   -1.355800       5.187300      0.6952000    
 H  -0.1936000       5.790800       1.889200    
 H   -6.026800      -2.272500      0.1603000    
 H   -5.324000      -1.307600       1.482100    
 H   -7.032300      -1.217300       1.122600    
 H   -6.262000      -1.821000      -2.395800    
 H   -5.364600     -0.6098000      -3.344800    
 H   -4.927900      -2.317100      -3.424200    
 H    6.560600     -0.9155000     -0.1447000    
 H    6.112700      -1.265800      -1.840000    
 H    5.933200      -3.248400      0.4877000    
 H    5.492700      -3.592900      -1.179800    
 H    7.191200      -3.250200     -0.7718000    


%chk=000057877-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057877

0 1
O -1.206921 0.532928 0.587362
O 4.869870 -1.123433 -0.638504
O 5.049393 1.160310 -1.067886
N -4.555099 -0.276406 -0.894195
C 0.164941 0.425512 0.229899
C 0.794857 -0.850078 0.305834
C 0.876968 1.606897 -0.120325
C 0.033038 -2.074640 0.786703
C 0.199977 2.967006 -0.099234
C -3.549601 0.090105 0.129713
C -2.170662 0.285985 -0.519434
C 2.168423 -0.931261 -0.012346
C 2.248837 1.482879 -0.428895
C 2.899150 0.224850 -0.383824
C -0.133236 -2.097995 2.332587
C 0.099110 3.550031 1.338978
C -5.876606 0.376740 -0.716826
C -4.595453 -1.736603 -1.164489
C -0.937984 -3.322884 2.814796
C -0.575309 4.937573 1.361087
C -6.708146 -0.080263 0.513402
C -5.330141 -2.098130 -2.468300
C 4.345869 0.173384 -0.729940
C 6.319470 -1.258680 -0.965659
C 6.675551 -2.731429 -0.788666
H -0.976989 -2.113012 0.335683
H 0.564802 -2.991387 0.465881
H -0.823095 2.900528 -0.514697
H 0.766818 3.673162 -0.736347
H -3.454033 -0.669111 0.941702
H -3.845489 1.037705 0.615395
H -1.862975 -0.611410 -1.092130
H -2.184625 1.150924 -1.210418
H 2.683997 -1.895510 0.031738
H 2.835648 2.364677 -0.709911
H 0.869045 -2.094317 2.803976
H -0.639265 -1.165822 2.645751
H -0.471724 2.840415 1.967024
H 1.115956 3.617908 1.772840
H -5.698124 1.467001 -0.650931
H -6.467553 0.217563 -1.637583
H -3.547836 -2.084275 -1.246622
H -5.045226 -2.306506 -0.312252
H -1.037984 -3.328048 3.915614
H -0.447696 -4.268961 2.515735
H -1.957697 -3.321954 2.383835
H -0.009373 5.667108 0.751042
H -1.603516 4.886108 0.954958
H -0.638727 5.335693 2.390363
H -6.976489 -1.150665 0.451303
H -6.151680 0.078987 1.455438
H -7.648548 0.498666 0.573369
H -6.411411 -1.878546 -2.411820
H -4.906021 -1.530957 -3.315650
H -5.222483 -3.178180 -2.678007
H 6.893059 -0.599279 -0.289079
H 6.478163 -0.905569 -2.000921
H 6.493049 -3.059031 0.249214
H 6.077550 -3.365837 -1.465249
H 7.745072 -2.888064 -1.019880


