%chk=000006719.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006719

0 1
 O  -9.3800001E-02  0.3618000       1.540600    
 O   -1.596100       1.311300      -1.933800    
 O   -1.943200      -2.221500       1.204700    
 C   -1.139700     -0.5324000     -0.3819000    
 C    1.348100      0.1210000     -0.4025000    
 C   2.7700000E-02  1.5699999E-02  0.3651000    
 C   -1.971600      0.5251000      -1.084600    
 C   -2.146600      -1.253500      0.4961000    
 C   -3.339700      0.4497000     -0.5703000    
 C   -3.441800     -0.5875000      0.3516000    
 C    2.170000       1.337200      4.4999998E-03
 C    2.155100      -1.169100     -0.3909000    
 C   -4.425600       1.237000     -0.9004000    
 C   -4.634100     -0.8826000      0.9837000    
 C    1.981200       2.524800     -0.6712000    
 C    2.973000      -1.454200      -1.465200    
 C    3.077800       1.212700       1.035600    
 C    2.044600      -2.015700      0.6935000    
 C   -5.640100      0.9550000     -0.2691000    
 C   -5.743400     -9.4899997E-02  0.6641000    
 C    2.734100       3.638400     -0.2987000    
 C    3.712500      -2.637000      -1.454600    
 C    3.830500       2.326400       1.408300    
 C    2.784200      -3.198200      0.7042000    
 C    3.658700       3.539300      0.7411000    
 C    3.618300      -3.508800     -0.3698000    
 H  -0.8097000      -1.259100      -1.133500    
 H    1.052600      0.2818000      -1.451100    
 H   -4.349700       2.044200      -1.620000    
 H   -4.717100      -1.691400       1.700500    
 H    1.262000       2.612900      -1.479800    
 H    3.053500     -0.7808000      -2.313200    
 H    3.222900      0.2932000       1.590900    
 H    1.416700      -1.798000       1.550500    
 H   -6.518400       1.551700     -0.5009000    
 H   -6.700000     -0.2943000       1.139900    
 H    2.599600       4.583100     -0.8173000    
 H    4.362300      -2.878800      -2.290600    
 H    4.546800       2.250900       2.221200    
 H    2.713400      -3.875700       1.550100    
 H    4.243600       4.406800       1.032200    
 H    4.194800      -4.429200     -0.3611000    


%chk=000006719-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000006719

0 1
O -0.147715 0.588918 1.556994
O -1.472029 0.830019 -2.200024
O -1.909940 -2.212108 1.551397
C -1.091900 -0.729145 -0.278396
C 1.320087 0.218826 -0.406389
C 0.030417 0.081332 0.428048
C -1.915108 0.217049 -1.194453
C -2.127775 -1.308711 0.708124
C -3.299691 0.270076 -0.646071
C -3.425212 -0.612273 0.458845
C 2.181139 1.399486 0.048190
C 2.067698 -1.125286 -0.443166
C -4.393434 1.040186 -1.094031
C -4.647863 -0.747239 1.147276
C 2.064199 2.639174 -0.628857
C 2.871525 -1.434018 -1.570598
C 3.067773 1.298179 1.147702
C 2.005545 -2.052175 0.628917
C -5.620327 0.908482 -0.404894
C -5.746069 0.024538 0.703687
C 2.823892 3.757868 -0.219958
C 3.603125 -2.639495 -1.625212
C 3.825943 2.415742 1.559901
C 2.733378 -3.262852 0.572061
C 3.708138 3.649082 0.877522
C 3.535747 -3.559770 -0.552112
H -0.608911 -1.521149 -0.879603
H 0.970523 0.429831 -1.439967
H -4.283314 1.716028 -1.947757
H -4.730657 -1.429916 1.998539
H 1.374061 2.728194 -1.477666
H 2.928752 -0.721134 -2.402148
H 3.170647 0.345128 1.677490
H 1.385026 -1.840328 1.508346
H -6.489769 1.492911 -0.724695
H -6.710336 -0.055268 1.217195
H 2.726165 4.709447 -0.754686
H 4.222268 -2.862352 -2.501398
H 4.508202 2.325487 2.412753
H 2.669787 -3.972176 1.404580
H 4.299388 4.514698 1.197090
H 4.100025 -4.497988 -0.594675


