%chk=000047702.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047702

0 1
 O    3.512500      -1.703600      0.2703000    
 O    4.570800      0.2379000     -0.6878000    
 O   -1.327400       1.679000       1.004300    
 O   -3.342400     -0.8716000      -1.341800    
 O   -5.841400      0.1084000      -1.046800    
 N   -1.508300     -0.6128000      0.7020000    
 N   -4.982900     -3.4000002E-02  5.1700000E-02
 C    2.656000     -0.6522000      0.1545000    
 C    3.260500      0.4564000     -0.3925000    
 C   0.6057000      0.5347000      0.3323000    
 C    1.327700     -0.6451000      0.5278000    
 C    2.570100       1.633400     -0.5963000    
 C    1.223300       1.667400     -0.2267000    
 C    4.723500      -1.132600     -0.2658000    
 C  -0.7976000      0.5929000      0.7105000    
 C   -2.912200     -0.7149000       1.030000    
 C   -3.737700     -0.5434000     -0.2257000    
 H   0.9025000      -1.533300      0.9810000    
 H    3.049900       2.504200      -1.028400    
 H   0.6629000       2.585800     -0.3845000    
 H    5.042700      -1.731400      -1.126600    
 H    5.503300      -1.178300      0.5031000    
 H   -1.060300      -1.464600      0.3813000    
 H   -3.169000      4.4199999E-02   1.775400    
 H   -3.096500      -1.710300       1.444400    
 H   -5.316100      0.2987000      0.9495000    
 H   -6.278200      0.9463000     -0.8187000    


%chk=000047702-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000047702

0 1
O 3.631182 -1.595815 0.156200
O 4.489880 0.482438 -0.690385
O -1.690723 1.417928 0.904722
O -4.905187 -1.477416 -0.354312
O -5.056443 1.094192 -1.148651
N -1.639704 -0.895114 0.777146
N -4.125260 0.675302 -0.137682
C 2.604563 -0.624249 0.088466
C 3.113983 0.598612 -0.405282
C 0.425994 0.371161 0.325431
C 1.272636 -0.774163 0.466638
C 2.308228 1.733723 -0.535428
C 0.949118 1.598060 -0.158994
C 4.845792 -0.935023 -0.394630
C -1.025318 0.342454 0.688070
C -3.032965 -1.029372 1.240838
C -4.086712 -0.648821 0.184911
H 0.925254 -1.718335 0.895570
H 2.710209 2.678447 -0.908384
H 0.267449 2.450541 -0.229267
H 5.134010 -1.434826 -1.335567
H 5.641913 -0.951384 0.367358
H -1.169741 -1.724513 0.413002
H -3.163013 -0.396633 2.136845
H -3.218118 -2.080625 1.510225
H -3.430019 1.378643 0.165134
H -5.535606 0.225987 -1.345476


