%chk=000047371.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047371

0 1
 O  -0.2010000       1.869300      0.2174000    
 O  -0.2831000      -2.940100     -0.3812000    
 O   -2.900300       1.857600      0.3694000    
 O    4.063700       1.369800      0.6266000    
 C  -0.1608000     -0.5493000     -7.6300003E-02
 C  -0.8347000      0.6608000      0.1180000    
 C    1.930500      0.5907000      3.5599999E-02
 C    1.228000       1.869300      0.3641000    
 C    1.292100     -0.5618000     -0.1786000    
 C  -0.8950000      -1.735700     -0.1899000    
 C   -2.230000      0.6844000      0.1896000    
 C   -2.288300      -1.710400     -0.1092000    
 C   -2.955000     -0.5013000      7.9400003E-02
 C    3.391800      0.5908000     -5.4099999E-02
 C    4.045700     -0.3921000     -0.9927000    
 C   7.7100001E-02  -3.674300      0.7861000    
 C   -3.280700       2.572300     -0.8043000    
 H    1.446700       2.155900       1.399400    
 H    1.603600       2.670100     -0.2830000    
 H    1.793900      -1.494600     -0.4013000    
 H   -2.861100      -2.629900     -0.1966000    
 H   -4.040000     -0.4902000      0.1381000    
 H    3.467200     -0.5065000      -1.913800    
 H    4.176500      -1.356500     -0.4954000    
 H    5.029700     -5.9000002E-03  -1.277300    
 H   0.7328000      -3.085400       1.435100    
 H   0.6137000      -4.574000      0.4726000    
 H  -0.8194000      -3.976700       1.336600    
 H   -3.969800       1.975200      -1.409900    
 H   -2.399900       2.843200      -1.395000    
 H   -3.790600       3.489400     -0.4968000    


%chk=000047371-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000047371

0 1
O -0.269032 1.910830 -0.124848
O 0.138256 -2.891124 0.374239
O -3.123939 1.726409 0.225406
O 3.879881 2.197132 -0.528498
C -0.074228 -0.524406 0.127610
C -0.865977 0.665307 0.097063
C 1.971893 0.808246 -0.176306
C 1.170513 2.022687 0.256129
C 1.345030 -0.417225 -0.166099
C -0.719397 -1.781772 0.342728
C -2.282562 0.600930 0.208165
C -2.119060 -1.847800 0.508801
C -2.879687 -0.659186 0.426376
C 3.391149 1.019938 -0.539541
C 4.256800 -0.179029 -0.922597
C -0.469290 -4.212647 0.555244
C -3.013127 2.669206 -0.910295
H 1.213850 2.160025 1.356221
H 1.534166 2.938128 -0.232216
H 1.880009 -1.340194 -0.408203
H -2.627810 -2.796948 0.693423
H -3.967037 -0.683521 0.549117
H 3.891759 -0.645590 -1.856329
H 4.246831 -0.954223 -0.134983
H 5.290468 0.166348 -1.076679
H -0.977417 -4.286333 1.535741
H 0.370008 -4.922169 0.517725
H -1.188170 -4.438113 -0.255731
H -3.239753 2.151592 -1.862674
H -2.007410 3.117808 -0.954015
H -3.773414 3.439796 -0.712373


