%chk=000112642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000112642

0 1
 O    2.623300       1.650600     -0.1834000    
 O   -1.588100     -0.3913000       1.443100    
 C    1.988400      0.4565000     -0.6207000    
 C    1.551400     -0.4443000      0.5110000    
 C   0.5746000      -1.517900     -1.8600000E-02
 C    1.343100       1.781000     -0.8149000    
 C  -0.6802000     -0.9667000     -0.7161000    
 C    2.776100      -1.057700       1.194000    
 C   -1.534500      -2.104800      -1.271500    
 C   -1.540400     -0.1420000      0.2387000    
 C   -2.357000      0.9742000     -0.3915000    
 C   -3.156600       1.762500      0.6299000    
 H    2.415400     -6.0199998E-02  -1.468900    
 H    1.033000      0.1541000       1.270900    
 H   0.2792000      -2.165000      0.8181000    
 H    1.112100      -2.161300     -0.7286000    
 H    1.319000       2.196000      -1.814000    
 H   0.5207000       2.080700     -0.1807000    
 H  -0.3812000     -0.3267000      -1.552900    
 H    3.433200     -0.2797000       1.596800    
 H    2.473500      -1.706800       2.022100    
 H    3.363400      -1.655500      0.4884000    
 H   -2.415700      -1.719400      -1.795000    
 H  -0.9623000      -2.711100      -1.981400    
 H   -1.890500      -2.761900     -0.4703000    
 H   -3.042600      0.5294000      -1.119800    
 H   -1.679800       1.648900     -0.9228000    
 H   -2.497400       2.225700       1.371500    
 H   -3.728000       2.555300      0.1374000    
 H   -3.860200       1.115300       1.163900    


%chk=000112642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000112642

0 1
O 2.965537 1.623318 -0.340997
O -1.638827 -0.421483 1.530636
C 2.133874 0.406578 -0.697239
C 1.593799 -0.402173 0.474695
C 0.568415 -1.465341 -0.006852
C 1.641577 1.780460 -1.042727
C -0.708923 -0.907275 -0.680022
C 2.767008 -1.075262 1.225549
C -1.577365 -2.068623 -1.250515
C -1.582866 -0.112181 0.309829
C -2.401037 1.045360 -0.268830
C -3.470018 1.600203 0.687532
H 2.589463 -0.188226 -1.505580
H 1.088569 0.293222 1.174109
H 0.257910 -2.065076 0.869789
H 1.069442 -2.158652 -0.714337
H 1.705371 2.144827 -2.076442
H 0.853752 2.235486 -0.426363
H -0.439873 -0.237319 -1.521599
H 3.496020 -0.318270 1.562654
H 2.399223 -1.626733 2.109569
H 3.296440 -1.795223 0.571579
H -2.502649 -1.700130 -1.730245
H -1.003983 -2.633030 -2.007951
H -1.861935 -2.765927 -0.441912
H -2.846505 0.717200 -1.230220
H -1.676215 1.842091 -0.546829
H -3.014274 1.914207 1.641709
H -3.987183 2.466833 0.238934
H -4.222847 0.829039 0.926779


