%chk=000003590.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003590

0 1
 O    3.346500     -0.8464000     -0.5568000    
 N   -4.012200     -0.7968000     -3.7799999E-02
 C   0.9635000     -0.5983000     -0.4409000    
 C    2.320800     -1.1000000E-02 -2.7999999E-03
 C  -0.2728000      8.5500002E-02  0.1514000    
 C   -1.559100     -0.6244000     -0.2932000    
 C   -2.827800     -2.1600001E-02  0.3334000    
 C    2.495300     -1.0600000E-02   1.517200    
 C    2.552800       1.392600     -0.5634000    
 C   -3.006900       1.430900     -0.1071000    
 H   0.9025000     -0.5823000      -1.537500    
 H   0.9412000      -1.663700     -0.1730000    
 H  -0.2272000      7.4699998E-02   1.245500    
 H  -0.2870000       1.130700     -0.1708000    
 H   -1.631100     -0.5964000      -1.388400    
 H   -1.491300      -1.683400     -1.0500000E-02
 H   -2.736400     -4.7899999E-02   1.425900    
 H    2.307200      -1.007500       1.931800    
 H    1.829500      0.7036000       2.010900    
 H    3.526400      0.2456000       1.787600    
 H    2.458800       1.396200      -1.655300    
 H    3.569600       1.736900     -0.3409000    
 H    1.848100       2.121500     -0.1519000    
 H   -3.958100       1.834200      0.2601000    
 H   -3.004200       1.525000      -1.198700    
 H   -2.220200       2.075000      0.2968000    
 H    3.244000      -1.737300     -0.1806000    
 H   -4.833500     -0.4147000      0.4292000    
 H   -3.912200      -1.755100      0.2943000    


%chk=000003590-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000003590

0 1
O 3.420885 -0.819252 -0.658548
N -4.018690 -0.809437 -0.058350
C 0.981400 -0.638616 -0.352988
C 2.356093 -0.020019 0.022641
C -0.268291 0.092531 0.190181
C -1.579337 -0.587792 -0.264132
C -2.863162 0.024726 0.347556
C 2.611652 -0.046700 1.546312
C 2.544627 1.392070 -0.555885
C -3.113132 1.470317 -0.130146
H 0.928750 -0.687451 -1.458945
H 0.961862 -1.690693 0.010035
H -0.239614 0.120513 1.298770
H -0.258583 1.143949 -0.155352
H -1.671490 -0.552786 -1.367661
H -1.535921 -1.663924 0.013147
H -2.723356 0.052520 1.459543
H 2.484962 -1.069525 1.951869
H 1.916930 0.620090 2.088242
H 3.643695 0.284653 1.756445
H 2.355429 1.387784 -1.643422
H 3.583689 1.725020 -0.389913
H 1.862926 2.116044 -0.077085
H -4.056827 1.868544 0.290352
H -3.193417 1.492269 -1.231965
H -2.299040 2.146452 0.185047
H 3.343175 -1.760408 -0.353649
H -4.927965 -0.433690 0.231570
H -3.921048 -1.802190 0.180830


