%chk=000118058.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118058

0 1
 O  -0.8538000       2.158900      5.7999999E-03
 N    1.606000      0.2644000      -1.297600    
 N   0.8753000      0.1170000      0.9703000    
 C    2.936600      -1.128300      0.1990000    
 C    2.938500     -0.2453000      -1.063100    
 C    2.216800     -0.3696000       1.336500    
 C    2.243500      -2.477500     -7.5999998E-02
 C    4.389600      -1.411600      0.6189000    
 C   0.6926000      0.4083000     -0.2769000    
 C  -0.6678000      0.9319000     -0.6709000    
 C   -1.744400     -5.0200000E-02 -0.3094000    
 C   -2.125100      -1.022000      -1.227300    
 C   -2.350100      2.2299999E-02  0.9395000    
 C   0.1585000       3.104400     -0.3245000    
 C   -3.125700      -1.934200     -0.8917000    
 C   -3.350500     -0.8899000       1.275300    
 C  -0.1015000       4.389600      0.4322000    
 C   -3.738300      -1.868100      0.3597000    
 H    3.614700      0.6081000     -0.9343000    
 H    3.282400     -0.8053000      -1.939800    
 H    2.113000      -1.023500       2.210700    
 H    2.812000      0.4935000       1.660500    
 H    2.252300      -3.111800      0.8177000    
 H    1.198800      -2.355000     -0.3796000    
 H    2.755400      -3.025000     -0.8757000    
 H    4.930300     -0.4828000      0.8329000    
 H    4.426500      -2.032300       1.521200    
 H    4.934000      -1.938100     -0.1731000    
 H    1.370700      0.5377000      -2.247200    
 H  -0.7128000       1.127100      -1.750200    
 H   -1.652700      -1.084400      -2.203700    
 H   -2.061000      0.7684000       1.674200    
 H    1.155800       2.756500     -3.9000001E-02
 H   0.1430000       3.303000      -1.402200    
 H   -3.427000      -2.696400      -1.604300    
 H   -3.826200     -0.8402000       2.250400    
 H  -9.4999999E-02   4.209100       1.512200    
 H   0.6547000       5.143500      0.1957000    
 H   -1.089500       4.790600      0.1827000    
 H   -4.516700      -2.578800      0.6214000    


%chk=000118058-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118058

0 1
O -1.042248 1.469633 0.880439
N 0.872156 -0.521011 0.781352
N 1.578006 0.352101 -1.355132
C 3.258518 -0.858971 0.184760
C 2.015250 -1.431301 0.930611
C 2.808727 -0.483204 -1.262950
C 3.781078 0.401483 0.919534
C 4.359802 -1.939790 0.126312
C 0.723162 0.250845 -0.360357
C -0.607995 1.017456 -0.450259
C -1.715180 0.142625 -1.046927
C -1.534180 -0.410326 -2.340223
C -2.915128 -0.112621 -0.342152
C -0.248829 2.608496 1.384012
C -2.543009 -1.210454 -2.919073
C -3.922730 -0.917497 -0.923568
C -0.802842 2.980778 2.758071
C -3.741828 -1.468618 -2.212361
H 1.772990 -2.434731 0.518708
H 2.246510 -1.560347 2.005020
H 3.625068 0.068170 -1.767389
H 2.648447 -1.413029 -1.849883
H 4.669589 0.811144 0.404039
H 3.013194 1.194787 0.947989
H 4.070827 0.162353 1.960609
H 4.000147 -2.854025 -0.383470
H 5.241901 -1.568417 -0.428218
H 4.697235 -2.224412 1.141468
H 0.136533 -0.462648 1.487824
H -0.421085 1.886502 -1.114518
H -0.597902 -0.216275 -2.876569
H -3.050234 0.329398 0.648710
H 0.822330 2.320103 1.446939
H -0.337552 3.455914 0.671432
H -2.395296 -1.630766 -3.920587
H -4.849734 -1.109823 -0.370804
H -0.706087 2.135723 3.462127
H -0.251067 3.844120 3.172533
H -1.870648 3.249929 2.684907
H -4.524996 -2.089295 -2.662653


