%chk=000048226.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048226

0 1
 O   9.4599999E-02  -1.554600     -3.7999999E-02
 O    2.349200      -1.878900      0.1084000    
 C    1.591200      0.3656000      0.2723000    
 C  -0.8133000      0.6923000      0.1126000    
 C    2.998700      0.8537000      0.4339000    
 C   0.5401000       1.196400      0.2710000    
 C   -1.005300     -0.6761000     -3.8199998E-02
 C    1.402000      -1.099600      0.1110000    
 C   -1.927700       1.534400      0.1077000    
 C    3.638000       1.176300     -0.9030000    
 C   -2.275900      -1.226500     -0.1935000    
 C   -3.209200      0.9974000     -4.6999998E-02
 C   -3.382400     -0.3803000     -0.1972000    
 H    3.009000       1.757900       1.056200    
 H    3.608700      0.1210000      0.9749000    
 H   0.6750000       2.267200      0.3870000    
 H   -1.814600       2.609500      0.2234000    
 H    4.660100       1.539600     -0.7545000    
 H    3.080400       1.953700      -1.436200    
 H    3.686900      0.2909000      -1.545900    
 H   -2.408500      -2.297700     -0.3101000    
 H   -4.074000       1.654900     -5.0400000E-02
 H   -4.380600     -0.7913000     -0.3170000    


%chk=000048226-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048226

0 1
O 0.099031 -1.490939 -0.155560
O 2.371447 -1.831330 -0.044703
C 1.595689 0.454634 0.272975
C -0.864080 0.746421 0.160395
C 3.011149 0.973348 0.428338
C 0.477822 1.261969 0.339737
C -1.016395 -0.648523 -0.090464
C 1.450754 -0.992891 0.023118
C -2.036879 1.551672 0.220505
C 3.785922 1.006716 -0.917245
C -2.284921 -1.235639 -0.278577
C -3.306733 0.979144 0.035464
C -3.428384 -0.415536 -0.214366
H 2.980698 1.988035 0.867706
H 3.561775 0.320209 1.131327
H 0.602948 2.334697 0.534070
H -1.934857 2.626036 0.413441
H 4.809390 1.391867 -0.760019
H 3.280571 1.659320 -1.651810
H 3.863506 -0.007947 -1.342879
H -2.352920 -2.310498 -0.468729
H -4.203998 1.604276 0.083037
H -4.419136 -0.859243 -0.358361


