%chk=000080656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080656

0 1
 O    2.532800     -0.9316000      -1.026300    
 O    1.698700      0.1392000      0.8778000    
 C   -6.002000      0.2999000      0.3250000    
 C   -4.839100     -0.2187000     -0.5226000    
 C   -7.349600     -2.4700001E-02 -0.3217000    
 C   -3.492600      7.6200001E-02  0.1403000    
 C   -8.514000      0.4645000      0.5425000    
 C   -2.331300     -0.4725000     -0.6912000    
 C   -9.861200      0.1086000     -9.0300001E-02
 C  -0.9820000     -0.1470000     -4.2800002E-02
 C   -11.06120      0.6024000      0.7203000    
 C   0.1990000     -0.6589000     -0.8668000    
 C   -12.40220      0.1902000      0.1332000    
 C    1.537200     -0.4066000     -0.2054000    
 C    3.816600     -0.7514000     -0.5061000    
 C    5.801200      0.5890000     -0.3219000    
 C    6.365800     -0.3942000      0.5250000    
 C    4.508900      0.3930000     -0.8357000    
 C    4.339000      -1.723000      0.3133000    
 C    5.621500      -1.544600      0.8329000    
 C    6.545300       1.739600     -0.6297000    
 C    7.658200     -0.1981000       1.038700    
 C    7.827900       1.918000     -0.1105000    
 C    8.383300      0.9509000      0.7219000    
 H   -5.907700       1.384700      0.4560000    
 H   -5.957100     -0.1516000       1.323600    
 H   -4.871100      0.2460000      -1.515500    
 H   -4.945800      -1.300500     -0.6683000    
 H   -7.404300      0.4420000      -1.312700    
 H   -7.433500      -1.108300     -0.4693000    
 H   -3.468300     -0.3707000       1.141600    
 H   -3.376600       1.159500      0.2666000    
 H   -8.449700      1.4300000E-02   1.540400    
 H   -8.445100       1.551200      0.6722000    
 H   -2.434600      -1.558900     -0.7991000    
 H   -2.364700     -4.1700002E-02  -1.699200    
 H   -9.913500      0.5344000      -1.100100    
 H   -9.928400     -0.9808000     -0.2028000    
 H  -0.8878000      0.9382000      8.9599997E-02
 H  -0.9458000     -0.5873000      0.9616000    
 H   -10.99210      0.2142000       1.743500    
 H   -11.02500       1.695900      0.7925000    
 H   9.7199999E-02  -1.739900      -1.016000    
 H   0.2042000     -0.1651000      -1.845000    
 H   -13.22150      0.5708000      0.7511000    
 H   -12.52380      0.5893000     -0.8787000    
 H   -12.48880     -0.8999000      8.5299999E-02
 H    4.056100       1.135100      -1.488900    
 H    3.774700      -2.617300      0.5584000    
 H    6.035500      -2.313700       1.481700    
 H    6.131000       2.508700      -1.278300    
 H    8.112100     -0.9409000       1.691600    
 H    8.392900       2.812400     -0.3564000    
 H    9.381900       1.090400       1.125700    


%chk=000080656-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080656

0 1
O 2.561526 0.078793 -0.336983
O 1.516295 -0.642184 1.652023
C -6.256278 0.031216 0.476132
C -4.960417 0.033116 -0.365808
C -7.542535 0.058834 -0.379961
C -3.674926 -0.008475 0.490605
C -8.838927 0.057047 0.461454
C -2.379436 -0.001871 -0.351711
C -10.125297 0.078695 -0.394779
C -1.101096 -0.077029 0.511597
C -11.422070 0.076176 0.446923
C 0.180743 -0.044536 -0.343748
C -12.701619 0.096458 -0.417225
C 1.447537 -0.245421 0.470880
C 3.935039 -0.031050 0.049626
C 6.235630 0.372952 -0.693890
C 6.724675 -0.168861 0.559179
C 4.825526 0.428668 -0.922136
C 4.396976 -0.569116 1.295120
C 5.772828 -0.628931 1.525765
C 7.183349 0.836448 -1.667563
C 8.139063 -0.226200 0.788887
C 8.554714 0.767796 -1.414562
C 9.037911 0.232207 -0.176588
H -6.251348 0.906869 1.158592
H -6.268852 -0.868466 1.126546
H -4.943800 0.937169 -1.010182
H -4.970243 -0.838204 -1.053892
H -7.530257 0.957746 -1.031570
H -7.547498 -0.817748 -1.061383
H -3.690389 -0.915317 1.130482
H -3.666775 0.859226 1.182745
H -8.849620 -0.840153 1.115475
H -8.836184 0.935436 1.140569
H -2.398918 -0.859671 -1.056670
H -2.355567 0.914938 -0.977591
H -10.116541 0.975812 -1.048996
H -10.129374 -0.799799 -1.073811
H -1.084931 0.764789 1.231071
H -1.110842 -1.000733 1.120570
H -11.429309 -0.819969 1.100704
H -11.417460 0.954356 1.124630
H 0.151555 -0.844679 -1.111987
H 0.270610 0.903949 -0.905492
H -13.614205 0.093716 0.207027
H -12.732361 0.998430 -1.057481
H -12.743877 -0.786966 -1.082182
H 4.430726 0.830564 -1.860878
H 3.681876 -0.915717 2.040828
H 6.138252 -1.038754 2.474763
H 6.814115 1.246728 -2.615004
H 8.505589 -0.636888 1.737363
H 9.270220 1.124348 -2.163704
H 10.116795 0.184957 0.007217


