%chk=000022501.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022501

0 1
 O   -1.469900      -2.705600      0.4328000    
 O   -2.354800       1.608600      -1.243800    
 O   -3.485200     -9.8099999E-02   1.523500    
 N  -0.1147000     -0.7991000     -1.4600000E-02
 N  -0.4009000      0.5275000     -0.4178000    
 N   -4.734100      -1.051500     -0.1574000    
 C   -2.386300     -0.6858000     -0.5084000    
 C   -1.295500      -1.551600      6.9899999E-02
 C   -1.740200      0.6401000     -0.8212000    
 C    1.176200      -1.403900     -9.4700001E-02
 C   0.3842000       1.664300     -5.6499999E-02
 C   -3.569800     -0.5693000      0.3920000    
 C    1.408600      -2.643300      0.5060000    
 C   0.1297000       2.906800     -0.6415000    
 C    2.211600     -0.7589000     -0.7749000    
 C    1.408600       1.538000      0.8842000    
 C    2.669500      -3.234600      0.4269000    
 C   0.8958000       4.017400     -0.2876000    
 C    3.472500      -1.350100     -0.8542000    
 C    2.174700       2.648600       1.238200    
 C    3.701500      -2.587900     -0.2533000    
 C    1.918400       3.888300      0.6522000    
 H   -2.665700      -1.130500      -1.471900    
 H   0.6588000      -3.166900       1.087300    
 H  -0.6164000       3.054700      -1.413200    
 H    2.069200      0.1624000      -1.329700    
 H    1.597000      0.6228000       1.434800    
 H    2.851500      -4.193700      0.9032000    
 H   0.7040000       4.980700     -0.7512000    
 H    4.271500     -0.8556000      -1.398800    
 H    2.958700       2.553000       1.983800    
 H   -5.603200      -1.029300      0.3660000    
 H   -4.780300      -1.442000      -1.093000    
 H    4.682800      -3.049000     -0.3165000    
 H    2.513800       4.753300      0.9292000    


%chk=000022501-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000022501

0 1
O -1.201979 -3.094544 0.003658
O -2.463123 1.415088 -1.261609
O -3.755909 -1.824563 1.313111
N -0.124642 -0.983299 -0.058328
N -0.495421 0.351333 -0.477971
N -4.512951 0.048144 0.141670
C -2.425784 -1.004103 -0.622578
C -1.244842 -1.857919 -0.168106
C -1.839902 0.383889 -0.873102
C 1.244950 -1.420680 -0.141418
C 0.273587 1.497501 -0.066078
C -3.626043 -0.969924 0.401271
C 1.660102 -2.478221 0.704763
C 0.241537 2.665658 -0.866482
C 2.148068 -0.837568 -1.064413
C 1.023177 1.463504 1.135766
C 2.985025 -2.955158 0.613810
C 0.960635 3.806190 -0.449078
C 3.474516 -1.313808 -1.129164
C 1.747936 2.607436 1.529548
C 3.898869 -2.374146 -0.295405
C 1.719664 3.782717 0.743373
H -2.841084 -1.436588 -1.551912
H 0.950273 -2.926811 1.403551
H -0.350064 2.683028 -1.784478
H 1.821724 -0.026497 -1.721610
H 1.036637 0.560306 1.752055
H 3.302179 -3.779566 1.261249
H 0.929761 4.712307 -1.063515
H 4.173889 -0.858350 -1.838587
H 2.330326 2.579607 2.456673
H -5.334790 0.137987 0.738654
H -4.275711 0.781079 -0.538153
H 4.928498 -2.742581 -0.353927
H 2.282493 4.668354 1.056564


