%chk=000029511.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029511

0 1
 O   -3.048400     -0.2076000     -4.8000002E-03
 O    3.048300      0.2077000     -1.1700000E-02
 O   -4.045400      -2.282300      2.6500000E-02
 O    4.045400       2.282200      2.7300000E-02
 C  -0.7058000      0.2883000     -2.1400001E-02
 C   0.7057000     -0.2880000     -3.5999998E-02
 C   -1.760700     -0.8086000     -2.6000000E-03
 C    1.760800      0.8086000     -1.1600000E-02
 C   -4.108200      -1.062800      1.1000000E-02
 C    4.108300       1.062800      8.9999996E-03
 C   -5.390100     -0.3135000      5.5000000E-03
 C    5.390100      0.3134000      5.1000002E-03
 C   -6.495600     -0.8878000     -0.5877000    
 C    6.497300      0.8892000     -0.5836000    
 C   -5.436100      0.9338000      0.5940000    
 C    5.434500     -0.9352000      0.5906000    
 C   -7.700000     -0.1841000     -0.5928000    
 C    7.701600      0.1855000     -0.5872000    
 C   -6.640500       1.637300      0.5891000    
 C    6.638900      -1.638900      0.5872000    
 C   -7.772400       1.078400     -4.3000001E-03
 C    7.772400      -1.078400     -1.8000000E-03
 H  -0.8434000      0.9365000      0.8532000    
 H  -0.8627000      0.9301000     -0.8973000    
 H   0.8517000     -0.9146000     -0.9247000    
 H   0.8541000     -0.9510000      0.8256000    
 H   -1.654700      -1.446100     -0.8883000    
 H   -1.646400      -1.423800      0.8977000    
 H    1.644900       1.420900      0.8905000    
 H    1.656300       1.449200     -0.8953000    
 H   -6.450900      -1.868500      -1.051800    
 H    6.453800       1.871200      -1.045400    
 H   -4.573100       1.385200       1.074200    
 H    4.570200      -1.387800       1.067300    
 H   -8.581200     -0.6189000      -1.055400    
 H    8.584100      0.6214000      -1.046200    
 H   -6.698200       2.619100       1.049800    
 H    6.695300      -2.621900       1.045700    
 H   -8.710400       1.626000     -7.6000001E-03
 H    8.710300      -1.626100     -3.8999999E-03


%chk=000029511-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029511

0 1
O -3.099995 -0.140635 -0.001296
O 3.099982 0.140630 0.001297
O -4.091757 -2.248680 0.007818
O 4.091690 2.248666 0.015197
C -0.715243 0.295429 -0.001301
C 0.715233 -0.295441 -0.003555
C -1.769176 -0.811613 0.002707
C 1.769151 0.811561 0.008324
C -4.208179 -0.997451 0.001789
C 4.208147 0.997462 0.005686
C -5.499601 -0.251245 -0.002567
C 5.499587 0.251301 -0.000937
C -6.702211 -1.005100 0.000163
C 6.702178 1.005185 0.001785
C -5.552337 1.167122 -0.009467
C 5.552358 -1.167054 -0.009803
C -7.948110 -0.345719 -0.003902
C 7.948091 0.345845 -0.004292
C -6.801865 1.822369 -0.013599
C 6.801900 -1.822262 -0.015855
C -8.000108 1.068994 -0.010781
C 8.000124 -1.068855 -0.013089
H -0.861902 0.937896 0.888112
H -0.865779 0.935229 -0.891931
H 0.865623 -0.928759 -0.898818
H 0.862042 -0.944347 0.881159
H -1.699315 -1.461462 -0.889434
H -1.700677 -1.453489 0.900663
H 1.699835 1.447669 0.910322
H 1.700082 1.467101 -0.879693
H -6.635321 -2.098069 0.005305
H 6.635264 2.098144 0.008490
H -4.619118 1.736908 -0.011418
H 4.619154 -1.736863 -0.011711
H -8.875335 -0.928669 -0.001785
H 8.875302 0.928818 -0.002245
H -6.843939 2.916919 -0.019177
H 6.843999 -2.916802 -0.022873
H -8.968751 1.581412 -0.013785
H 8.968776 -1.581243 -0.017604


