%chk=000012506.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000012506

0 1
 O   -1.360800       1.029400     -0.1986000    
 O    1.304900      0.2737000      0.3088000    
 O    2.942600      -1.064100     -0.6215000    
 C   -1.031500     -0.1962000      0.4767000    
 C   -2.171700      -1.157600      0.1892000    
 C   -3.349800     -0.2178000      0.1323000    
 C   -2.751600      0.9929000     -0.5524000    
 C   0.3182000     -0.6989000      2.4000001E-03
 C    2.585800     -3.6899999E-02 -6.0300000E-02
 C    3.513800       1.075500      0.3235000    
 H  -0.9880000      4.3699998E-02   1.546500    
 H   -2.273200      -1.936100      0.9502000    
 H   -2.041600      -1.643700     -0.7854000    
 H   -4.213600     -0.6254000     -0.3992000    
 H   -3.665200      4.5000002E-02   1.149100    
 H   -2.814900      0.9033000      -1.642000    
 H   -3.233400       1.926900     -0.2504000    
 H   0.3027000     -0.8483000      -1.084000    
 H   0.5640000      -1.645400      0.4976000    
 H    3.494000       1.216800       1.406900    
 H    3.222100       1.994700     -0.1905000    
 H    4.533500      0.8170000      2.4100000E-02


%chk=000012506-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000012506

0 1
O -1.475641 1.144383 -0.051531
O 1.367668 0.249501 0.412107
O 2.839885 -0.867683 -1.006650
C -1.027372 -0.140184 0.560128
C -2.190590 -1.152067 0.358904
C -3.424877 -0.243181 0.133508
C -2.809691 0.925398 -0.660435
C 0.268097 -0.619603 -0.086555
C 2.627269 0.023770 -0.152838
C 3.638281 1.002890 0.402310
H -0.847229 0.068708 1.631834
H -2.303746 -1.828532 1.222233
H -2.009089 -1.771609 -0.540865
H -4.237852 -0.752745 -0.411672
H -3.818998 0.118593 1.100197
H -2.700890 0.662582 -1.734389
H -3.364305 1.874241 -0.573706
H 0.215849 -0.548812 -1.187651
H 0.495973 -1.666284 0.193354
H 3.573781 1.044179 1.502301
H 3.419397 2.016802 0.022453
H 4.650382 0.708152 0.089964


