%chk=000047520.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047520

0 1
 O   0.6391000       1.073000      0.6024000    
 O    1.493000     -0.9093000     -0.4457000    
 O   -1.945600     -7.0000000E-02  0.4285000    
 C   0.4444000     -0.3204000      0.3350000    
 C  -0.8856000     -0.5810000     -0.3706000    
 C   0.6989000       1.900100     -0.5516000    
 C    2.767200     -0.7816000      0.1721000    
 C   -3.211500     -0.3108000     -0.1701000    
 H   0.4174000     -0.8174000       1.312500    
 H  -0.9071000     -0.1165000      -1.363100    
 H   -1.014900      -1.660800     -0.5164000    
 H    1.050300       2.887900     -0.2399000    
 H  -0.2950000       2.024000     -0.9897000    
 H    1.396600       1.507400      -1.296500    
 H    2.760600      -1.242200       1.164700    
 H    3.065800      0.2679000      0.2456000    
 H    3.500700      -1.304200     -0.4479000    
 H   -3.384800      -1.385500     -0.2825000    
 H   -3.276200      0.1858000      -1.143100    
 H   -3.985200      0.1007000      0.4836000    


%chk=000047520-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047520

0 1
O 0.741353 1.141683 0.604758
O 1.513593 -0.888541 -0.459046
O -1.924814 0.027874 0.370486
C 0.482463 -0.265627 0.373096
C -0.823825 -0.593588 -0.361413
C 0.563280 2.012570 -0.567969
C 2.831327 -0.916421 0.191352
C -3.220172 -0.295091 -0.223938
H 0.487156 -0.690297 1.396731
H -0.778053 -0.222359 -1.408216
H -0.937220 -1.697932 -0.392291
H 0.978924 2.987756 -0.270423
H -0.510320 2.129072 -0.808549
H 1.113949 1.624013 -1.446242
H 2.805270 -1.535309 1.112037
H 3.167335 0.104566 0.450407
H 3.519364 -1.368766 -0.539547
H -3.413439 -1.389370 -0.212469
H -3.290860 0.066941 -1.272569
H -3.977212 0.215924 0.391106


