%chk=000111926.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111926

0 1
 O    2.344500       1.728100      0.8507000    
 O    7.055800      -1.782900      -1.353100    
 O    7.627700      -1.657600      0.7626000    
 N    6.850300      -1.380600     -0.1825000    
 C   -6.187200     -0.3458000     -7.8999996E-03
 C   -7.484700     -0.8998000     -0.6047000    
 C   -5.044300     -0.3951000      -1.025700    
 C   -8.664700     -0.8988000      0.3846000    
 C   -3.738700      0.1297000     -0.4196000    
 C   -2.559100      7.4500002E-02  -1.396800    
 C   -8.311700      -1.739800       1.613900    
 C   -9.060400      0.5122000      0.8216000    
 C   -1.248600      0.5166000     -0.7957000    
 C  -0.8845000       1.852600     -0.8643000    
 C  -0.4296000     -0.4209000     -0.1852000    
 C   0.3282000       2.261000     -0.3090000    
 C   0.7830000     -1.2400000E-02  0.3702000    
 C    1.161900       1.328500      0.3083000    
 C    3.464400      0.9550000      0.5940000    
 C    3.695700      0.5116000     -0.6955000    
 C    4.323300      0.6473000       1.633500    
 C    4.824400     -0.2661000     -0.9545000    
 C    5.452000     -0.1302000       1.374700    
 C    5.702500     -0.5869000      8.0600001E-02
 H   -5.887800     -0.9271000      0.8702000    
 H   -6.328100      0.6910000      0.3157000    
 H   -7.313100      -1.926000     -0.9541000    
 H   -7.758800     -0.3116000      -1.489600    
 H   -5.306200      0.2039000      -1.906200    
 H   -4.898600      -1.427200      -1.366600    
 H   -9.524300      -1.358800     -0.1186000    
 H   -3.883200       1.163600     -8.1000000E-02
 H   -3.495900     -0.4584000      0.4748000    
 H   -2.782200      0.6926000      -2.276500    
 H   -2.448900     -0.9478000      -1.782300    
 H   -9.206200      -1.898600       2.226800    
 H   -7.933900      -2.725900       1.323900    
 H   -7.568300      -1.255900       2.255000    
 H   -9.972800      0.4805000       1.427200    
 H   -8.284200      0.9932000       1.424900    
 H   -9.260500       1.146200     -4.8400000E-02
 H   -1.527900       2.586400      -1.341300    
 H  -0.7194000      -1.466200     -0.1260000    
 H   0.6180000       3.307000     -0.3599000    
 H    1.400900     -0.7566000      0.8657000    
 H    3.040100      0.7680000      -1.522600    
 H    4.128800       1.002200       2.641100    
 H    4.990300     -0.6003000      -1.975500    
 H    6.113700     -0.3609000       2.205700    


%chk=000111926-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111926

0 1
O 2.392672 1.468281 0.793873
O 7.535814 -1.938854 -0.899962
O 8.285336 -0.911529 0.996428
N 7.369987 -1.150846 0.113399
C -6.298784 -0.329275 0.017376
C -7.686221 -0.679563 -0.570955
C -5.214762 -0.184189 -1.075514
C -8.840841 -0.851304 0.458221
C -3.818517 0.142945 -0.501884
C -2.725443 0.260890 -1.601295
C -8.584401 -2.020602 1.440591
C -9.142073 0.458819 1.226728
C -1.348551 0.556764 -1.027013
C -0.808195 1.868155 -1.046202
C -0.588232 -0.470556 -0.406805
C 0.451173 2.152627 -0.472854
C 0.668306 -0.207335 0.177048
C 1.178678 1.108736 0.129576
C 3.580563 0.759847 0.574625
C 3.800058 -0.097298 -0.535639
C 4.607136 0.997750 1.524781
C 5.050252 -0.722083 -0.686098
C 5.853876 0.372811 1.375849
C 6.063186 -0.487627 0.271376
H -5.983225 -1.115246 0.732402
H -6.358876 0.615782 0.593521
H -7.593934 -1.618320 -1.157228
H -7.974421 0.112150 -1.294446
H -5.516478 0.610375 -1.789972
H -5.159325 -1.124744 -1.663597
H -9.748061 -1.106116 -0.130814
H -3.860942 1.090844 0.071551
H -3.521671 -0.643951 0.221037
H -3.019166 1.056513 -2.313032
H -2.703186 -0.687576 -2.174572
H -9.468981 -2.198483 2.080341
H -8.362409 -2.959591 0.898888
H -7.730282 -1.803222 2.108654
H -10.041697 0.346299 1.860222
H -8.301934 0.737392 1.889928
H -9.319613 1.300361 0.530511
H -1.377584 2.677795 -1.517600
H -0.987333 -1.491542 -0.375210
H 0.870652 3.162982 -0.482176
H 1.234482 -1.003826 0.670909
H 3.011339 -0.259800 -1.274901
H 4.402181 1.669664 2.362594
H 5.257329 -1.382494 -1.532175
H 6.663813 0.531686 2.092112


