%chk=000099835.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000099835

0 1
 O    2.508700       1.455800      0.8476000    
 O   -1.946200       2.062600     -2.5100000E-02
 O    1.487100       1.762200      -1.167100    
 O   -3.008700      6.9799997E-02  0.2844000    
 C   0.9303000     -0.9891000      0.9262000    
 C  -0.7888000      -1.430300     -0.4242000    
 C  -0.3927000      -1.751700       1.021200    
 C   0.4255000      0.4189000      0.5370000    
 C  -0.7089000      0.1132000     -0.4607000    
 C    1.593900      -1.705100     -0.2669000    
 C   0.4115000      -1.995800      -1.202500    
 C    1.502800       1.280700     -4.4000000E-02
 C   -2.014400      0.7088000     -2.5900001E-02
 H    1.539000      -1.004200       1.833200    
 H   -1.742100      -1.856100     -0.7457000    
 H  -0.2613000      -2.823800       1.202900    
 H   -1.077700      -1.339300       1.768900    
 H   3.3000000E-02  0.9360000       1.422800    
 H  -0.5269000      0.4544000      -1.486100    
 H    2.051600      -2.647000      5.7900000E-02
 H    2.370700      -1.110900     -0.7561000    
 H   0.5371000      -1.528200      -2.184100    
 H   0.3066000      -3.076500      -1.351000    
 H    3.226800       2.016500      0.4840000    
 H   -2.792000       2.471900      0.2567000    


%chk=000099835-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000099835

0 1
O 2.322414 1.845297 0.923107
O -1.824890 2.111247 0.214380
O 1.753941 1.439775 -1.287844
O -3.167369 0.234368 -0.014968
C 0.961386 -1.053765 0.939272
C -0.823909 -1.488723 -0.421865
C -0.398800 -1.803174 1.041959
C 0.452665 0.385693 0.539879
C -0.728325 0.066169 -0.450357
C 1.613426 -1.752993 -0.291870
C 0.382787 -2.055891 -1.226345
C 1.527404 1.256673 -0.069952
C -2.028643 0.748876 -0.066613
H 1.592071 -1.036607 1.841874
H -1.809354 -1.862639 -0.736134
H -0.273677 -2.883987 1.230171
H -1.083205 -1.383263 1.800463
H 0.092868 0.892345 1.451369
H -0.460977 0.436345 -1.460912
H 2.113298 -2.683901 0.030313
H 2.372706 -1.125543 -0.788906
H 0.483858 -1.579183 -2.217130
H 0.260956 -3.142176 -1.387097
H 3.034679 2.389966 0.489437
H -2.700410 2.537893 0.421171


