%chk=000066468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066468

0 1
 O    4.752300     -0.7720000     -0.7522000    
 O   -6.292200     -0.1203000      0.1578000    
 C    2.315900     -0.3358000     -0.5253000    
 C    1.584700      0.8775000      9.0599999E-02
 C   9.9699996E-02  0.9268000     -0.2812000    
 C  -0.5893000     -0.3392000      0.3200000    
 C    1.626700      -1.627700     -3.3799998E-02
 C    3.767700     -6.8099998E-02 -8.5000005E-03
 C   7.8900002E-02  -1.654500     -0.2043000    
 C    2.491400       2.051700     -0.2633000    
 C    3.919500       1.469400     -0.1794000    
 C  -0.5898000       2.187900      0.2434000    
 C    2.335500     -0.3291000      -2.081500    
 C   -2.113100     -0.2763000      0.2462000    
 C   -2.031300       2.226700     -0.2532000    
 C  -0.3624000      -2.043400      -1.621500    
 C   -2.779100      0.9424000     -6.0000003E-04
 C    3.962100     -0.4266000       1.411100    
 C   -2.892400      -1.413400      0.5264000    
 C   -4.183800      0.9767000     -4.5600001E-02
 C   -4.287200      -1.364100      0.4927000    
 C   -4.933400     -0.1710000      0.1970000    
 C    4.119500     -0.7176000       2.565000    
 H    1.617500      0.7958000       1.188900    
 H  -1.5799999E-02  0.9314000      -1.370600    
 H  -0.3855000     -0.3180000       1.403300    
 H    1.807200      -1.754000       1.040600    
 H    2.077200      -2.507900     -0.5092000    
 H  -0.2528000      -2.481500      0.4390000    
 H    2.366200       2.889200      0.4308000    
 H    2.289800       2.425200      -1.273500    
 H    4.475800       1.717300      -1.091300    
 H    4.468200       1.927200      0.6528000    
 H  -7.4299999E-02   3.090900     -0.1021000    
 H  -0.5675000       2.203700       1.340700    
 H    1.356200     -0.1747000      -2.530200    
 H    2.976300      0.4600000      -2.488700    
 H    2.727000      -1.278400      -2.465700    
 H   -2.043000       2.423500      -1.332600    
 H   -2.545400       3.060700      0.2397000    
 H   -1.349400      -2.517500      -1.600000    
 H  -0.4468000      -1.185100      -2.290800    
 H   0.3249000      -2.769300      -2.067700    
 H    4.529800      -1.718500     -0.7242000    
 H   -2.425000      -2.360700      0.7803000    
 H   -4.689000       1.915700     -0.2633000    
 H   -4.860900      -2.262900      0.7020000    
 H    4.258200     -0.9758000       3.588700    
 H   -6.568300      0.7866000     -5.9599999E-02


%chk=000066468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000066468

0 1
O 4.850644 -0.742713 -0.757928
O -6.379830 -0.239333 0.295272
C 2.312687 -0.345820 -0.536294
C 1.588674 0.901993 0.062002
C 0.093209 0.952180 -0.301276
C -0.583887 -0.312499 0.314622
C 1.597795 -1.627769 -0.041593
C 3.777011 -0.086991 0.028829
C 0.044121 -1.636685 -0.246901
C 2.530238 2.077815 -0.300710
C 3.962645 1.463288 -0.165109
C -0.620579 2.227021 0.194948
C 2.410427 -0.304384 -2.086766
C -2.118923 -0.260835 0.256011
C -2.073895 2.248400 -0.319635
C -0.419712 -1.979552 -1.685641
C -2.817423 0.949874 -0.018869
C 3.921904 -0.478463 1.448706
C -2.888280 -1.418473 0.554818
C -4.234964 0.965095 -0.008903
C -4.294620 -1.409070 0.566284
C -4.971267 -0.204505 0.274243
C 4.094028 -0.821338 2.621183
H 1.634255 0.788080 1.169659
H -0.020998 0.928110 -1.405929
H -0.310424 -0.293844 1.396661
H 1.789362 -1.731389 1.045813
H 2.024246 -2.528221 -0.529828
H -0.316564 -2.467833 0.395432
H 2.390492 2.945144 0.367663
H 2.342778 2.424328 -1.334675
H 4.572969 1.613935 -1.071959
H 4.520011 1.895410 0.681965
H -0.087150 3.129457 -0.159663
H -0.608166 2.253302 1.304111
H 1.439958 -0.062753 -2.547670
H 3.147454 0.436349 -2.436774
H 2.734179 -1.284380 -2.477850
H -2.060121 2.415373 -1.417633
H -2.627692 3.102433 0.115874
H -1.492737 -2.240312 -1.695286
H -0.284134 -1.144359 -2.392947
H 0.144335 -2.846233 -2.077998
H 4.860767 -1.708949 -0.533345
H -2.376771 -2.358164 0.792177
H -4.760008 1.908687 -0.217558
H -4.874533 -2.307385 0.797126
H 4.242573 -1.111349 3.645042
H -6.753586 0.650229 0.077399


