%chk=000005719.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005719

0 1
 O   -2.311700       2.466900     -0.1697000    
 N   -3.672800      0.5603000      0.1170000    
 N    1.969100     -0.1876000      0.1911000    
 N    1.892800      0.4912000       1.370500    
 N    3.553300     -0.6351000      -1.571200    
 N    6.439300       1.466500      0.1742000    
 C  -0.3753000      -1.099100      0.1551000    
 C   -2.656800     -0.3471000      0.4187000    
 C   0.9620000     -0.9358000     -0.4427000    
 C   -1.391000     -0.1914000     -0.1464000    
 C   -5.077800      5.3900000E-02  3.2299999E-02
 C  -0.6264000      -2.162600       1.022500    
 C   -2.907400      -1.410600       1.285900    
 C    3.237700     -5.1700000E-02 -0.3812000    
 C   -1.892200      -2.318300       1.587800    
 C    1.231500      -1.528100      -1.618300    
 C   -3.426500       1.939900     -0.2044000    
 C   -5.358200     -0.4780000      -1.360100    
 C    3.973900      0.7305000      0.4789000    
 C    2.606800      -1.318900      -2.135300    
 C    3.099500       1.031100       1.529600    
 C   -4.596000       2.789700     -0.6461000    
 C    5.326100       1.134200      0.3117000    
 H   -1.177600      0.5913000     -0.8685000    
 H   -5.778300      0.8614000      0.2593000    
 H   -5.293900     -0.7128000      0.7768000    
 H   0.1552000      -2.876700       1.270300    
 H   -3.853700      -1.556300       1.793800    
 H   -2.083100      -3.140100       2.271900    
 H   0.5344000      -2.128400      -2.187700    
 H   -6.408000     -0.7755000      -1.446900    
 H   -4.742800      -1.359500      -1.570100    
 H   -5.147700      0.2569000      -2.141500    
 H    2.816100      -1.809200      -3.100200    
 H    3.285100       1.625600       2.413200    
 H   -4.224200       3.767800     -0.9695000    
 H   -5.123100       2.346600      -1.490800    
 H   -5.277000       2.956200      0.1924000    


%chk=000005719-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005719

0 1
O -2.858118 2.586347 -0.644901
N -3.952991 0.590952 -0.082106
N 2.190765 -0.430834 0.303505
N 2.430254 -0.706065 1.653372
N 3.450576 0.007883 -1.764943
N 7.035776 -0.342047 0.109276
C -0.334461 -0.442895 0.428992
C -2.764583 0.000695 0.497425
C 0.942220 -0.296810 -0.312336
C -1.508704 0.130401 -0.136024
C -5.169535 -0.265331 -0.174149
C -0.438527 -1.155861 1.657821
C -2.852741 -0.717388 1.717669
C 3.416494 -0.267128 -0.434413
C -1.695271 -1.294553 2.278353
C 1.003902 -0.019534 -1.691817
C -3.914282 1.885299 -0.641242
C -5.137416 -1.208480 -1.395761
C 4.454276 -0.450206 0.521029
C 2.247147 0.124981 -2.370726
C 3.791449 -0.708951 1.755785
C -5.215172 2.436655 -1.226691
C 5.852726 -0.388208 0.285036
H -1.450799 0.729129 -1.045444
H -6.059681 0.381557 -0.209688
H -5.255103 -0.861841 0.749405
H 0.457410 -1.570057 2.120637
H -3.807818 -0.797831 2.246753
H -1.769901 -1.839400 3.225119
H 0.078251 0.066473 -2.260973
H -6.047633 -1.835119 -1.420856
H -4.260839 -1.878514 -1.351827
H -5.085771 -0.637999 -2.340428
H 2.265042 0.339651 -3.443808
H 4.249312 -0.901593 2.724192
H -4.975157 3.405180 -1.689009
H -5.654273 1.773403 -1.993001
H -5.975527 2.605238 -0.441824


