%chk=000021792.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021792

0 1
 O    6.470500     -0.6433000      0.1494000    
 N    3.686000     -0.6027000     -0.4389000    
 C    2.366100      -1.226700     -0.5037000    
 C    4.179800     -0.5689000      0.9446000    
 C    4.642500      -1.315000      -1.297600    
 C    1.358000     -0.4195000      0.3134000    
 C   -1.147800     -0.3253000      0.3123000    
 C   -3.512900      0.6278000      -1.485600    
 C   -2.174700       1.258700      -1.873300    
 C   -2.452500      -1.033900      0.2303000    
 C   -1.011500       1.145500      0.3639000    
 C   -3.518300     -0.5962000     -0.5868000    
 C   -1.505300       1.922300     -0.6972000    
 C    5.562500      7.5499997E-02  0.9850000    
 C    6.014800     -0.6540000      -1.204000    
 C  -3.5999999E-03  -1.033500      0.2413000    
 C   -2.648300      -2.167300       1.050400    
 C  -0.4025000       1.774000       1.460900    
 C   -4.732500      -1.318300     -0.5581000    
 C   -1.375200       3.317600     -0.6477000    
 C   -3.853800      -2.868400       1.053100    
 C  -0.2795000       3.162700       1.498100    
 C   -4.897500      -2.444300      0.2457000    
 C  -0.7642000       3.933300      0.4446000    
 H    2.403600      -2.265500     -0.1484000    
 H    2.028000      -1.255500      -1.548000    
 H    4.234700      -1.583800       1.359100    
 H    3.549900      3.9999999E-02   1.598000    
 H    4.308100      -1.292300      -2.341100    
 H    4.722200      -2.365400     -0.9885000    
 H    1.623900     -0.4240000       1.374700    
 H    1.393100      0.6091000     -5.8100000E-02
 H   -4.005700      0.3455000      -2.426300    
 H   -4.146900       1.389000      -1.010800    
 H   -2.357200       2.005800      -2.656300    
 H   -1.499800      0.5181000      -2.320600    
 H    5.529700       1.126100      0.6711000    
 H    5.957800      4.7400001E-02   2.005600    
 H    6.741900      -1.219600      -1.795300    
 H    5.997300      0.3715000      -1.592600    
 H  -3.6899999E-02  -2.118800      0.1686000    
 H   -1.860000      -2.515100       1.716000    
 H  -3.4400001E-02   1.194700       2.304400    
 H   -5.571000     -0.9946000      -1.172500    
 H   -1.752200       3.935400      -1.458900    
 H   -3.975800      -3.737800       1.692200    
 H   0.1905000       3.643200       2.351300    
 H   -5.841800      -2.980200      0.2456000    
 H  -0.6697000       5.014800      0.4745000    


%chk=000021792-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021792

0 1
O 6.683347 -0.822582 -0.173604
N 3.777793 -0.643676 -0.252353
C 2.380474 -1.129690 -0.348330
C 4.490576 -1.131930 0.956340
C 4.569596 -0.963218 -1.469428
C 1.434954 -0.451075 0.676371
C -1.127727 -0.241922 0.379088
C -3.436724 0.484000 -1.699409
C -2.063331 1.133601 -1.998542
C -2.455352 -0.947429 0.291915
C -1.114381 1.258577 0.345390
C -3.497330 -0.613884 -0.630948
C -1.554415 1.944508 -0.821989
C 5.894767 -0.509263 1.029393
C 5.969159 -0.335962 -1.366381
C 0.020490 -0.971631 0.549162
C -2.688053 -2.007187 1.220128
C -0.669726 2.006230 1.464880
C -4.706942 -1.359414 -0.587647
C -1.535348 3.359217 -0.844879
C -3.892390 -2.735159 1.245003
C -0.659564 3.418650 1.435895
C -4.917788 -2.407213 0.329257
C -1.092320 4.099391 0.275378
H 2.320984 -2.243830 -0.230203
H 2.013542 -0.895944 -1.365868
H 4.583818 -2.248626 0.948238
H 3.925735 -0.844496 1.861866
H 4.047670 -0.551317 -2.354104
H 4.676784 -2.068685 -1.614732
H 1.803617 -0.658632 1.703236
H 1.481675 0.641715 0.533978
H -3.833553 0.056924 -2.642103
H -4.142797 1.290073 -1.410295
H -2.172305 1.784433 -2.886045
H -1.335278 0.341270 -2.261348
H 5.804180 0.592835 1.141163
H 6.469879 -0.923239 1.874274
H 6.599302 -0.621659 -2.225004
H 5.875800 0.770584 -1.320575
H -0.073631 -2.069267 0.551303
H -1.909134 -2.232271 1.956785
H -0.346061 1.472501 2.365795
H -5.499632 -1.105639 -1.303629
H -1.866772 3.883840 -1.749628
H -4.035286 -3.536331 1.978607
H -0.318107 3.981918 2.311518
H -5.866250 -2.955718 0.332908
H -1.084543 5.194724 0.242975


