%chk=000017828.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000017828

0 1
 O    1.518500      -1.512700      0.7319000    
 O   0.5138000       3.026000     -0.5257000    
 O   -6.245800     -0.4726000     -0.9373000    
 O    5.907900      0.2035000      0.3255000    
 O    6.142300      -2.047600     -9.1300003E-02
 C  -0.7233000     -0.7043000      0.7032000    
 C   0.6983000     -0.5166000      9.6199997E-02
 C   -1.707800      0.4287000      0.3030000    
 C   -3.162700      0.2070000      0.8731000    
 C    1.317600      0.8897000      0.3232000    
 C   -3.675200      -1.215600      0.4806000    
 C   -1.287100      -2.103500      0.3789000    
 C    2.427200      0.9809000     -0.7677000    
 C   -1.105400       1.783100      0.6958000    
 C   0.7756000     -0.7289000      -1.432700    
 C   -2.697100      -2.315700      0.9161000    
 C   0.2576000       1.979300      7.2400004E-02
 C   -4.176800       1.258100      0.3315000    
 C    1.786200      0.2876000      -1.977900    
 C   -3.991500      -1.340400      -1.028700    
 C   -3.183100      0.3497000       2.418400    
 C    1.851800       1.118200       1.746000    
 C   -4.473400       1.130800      -1.162200    
 C   -4.960700     -0.2682000      -1.520800    
 C    3.750600      0.3611000     -0.4240000    
 C    4.853200       1.155900      0.1539000    
 C    4.104900     -0.9119000     -0.5790000    
 C    5.484400      -1.021500     -0.1021000    
 H  -0.6080000     -0.6732000       1.795400    
 H   -1.777600      0.4225000     -0.7907000    
 H   -4.610300      -1.408100       1.024300    
 H  -0.6372000      -2.876200      0.8072000    
 H   -1.287500      -2.276700     -0.7024000    
 H    2.636400       2.020900      -1.049200    
 H  -0.9960000       1.890400       1.778900    
 H   -1.737800       2.604100      0.3449000    
 H  -0.1832000     -0.5638000      -1.933700    
 H    1.099100      -1.747500      -1.675700    
 H   -3.065000      -3.294800      0.5851000    
 H   -2.659600      -2.367300       2.010600    
 H   -3.831100       2.276900      0.5371000    
 H   -5.121000       1.169800      0.8854000    
 H    2.499600     -0.1733000      -2.669700    
 H    1.238800       1.034500      -2.568400    
 H   -3.076000      -1.283800      -1.626800    
 H   -4.431500      -2.329200      -1.210900    
 H   -4.166400      7.9599999E-02   2.821900    
 H   -2.446900     -0.2868000       2.915000    
 H   -2.988500       1.382000       2.728500    
 H    1.055400       1.024700       2.492400    
 H    2.634300      0.4087000       2.030400    
 H    2.263700       2.129100       1.847300    
 H   -5.243200       1.866700      -1.424700    
 H   -3.580600       1.378400      -1.746400    
 H   -5.085100     -0.3505000      -2.605600    
 H    1.413700      -1.435200       1.694800    
 H    5.195000       1.942600     -0.5253000    
 H    4.609100       1.589200       1.126600    
 H    3.542800      -1.737500     -0.9781000    
 H   -6.174300     -0.4419000      2.9400000E-02


%chk=000017828-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000017828

0 1
O 1.462319 -1.842251 0.368740
O 0.584313 2.777025 -0.820546
O -6.534895 -0.147278 -0.770258
O 6.064745 1.136445 0.452629
O 6.839287 -1.037422 0.887726
C -0.809988 -0.869161 0.532831
C 0.603688 -0.726660 -0.103289
C -1.740999 0.348449 0.243429
C -3.153251 0.198212 0.932908
C 1.330653 0.650459 0.197183
C -3.803948 -1.166911 0.489571
C -1.485574 -2.199687 0.112618
C 2.497301 0.720472 -0.880548
C -1.029986 1.681693 0.622599
C 0.680857 -0.820142 -1.639067
C -2.867587 -2.369618 0.778928
C 0.319716 1.799883 -0.068879
C -4.124021 1.354484 0.523358
C 2.107733 -0.329571 -1.981040
C -4.264558 -1.172763 -0.996888
C -3.037118 0.242044 2.483005
C 1.793652 0.777310 1.673802
C -4.544967 1.354112 -0.962825
C -5.187162 0.008369 -1.365968
C 3.889973 0.523364 -0.336712
C 4.805621 1.704712 -0.067302
C 4.562388 -0.619967 -0.014419
C 5.922137 -0.301929 0.485078
H -0.650364 -0.911544 1.635216
H -1.914749 0.374098 -0.852077
H -4.714339 -1.297747 1.118841
H -0.824127 -3.046345 0.372195
H -1.597167 -2.219447 -0.988553
H 2.440056 1.740227 -1.309401
H -0.881210 1.713474 1.719443
H -1.628852 2.560356 0.333975
H -0.085627 -0.165273 -2.094328
H 0.502757 -1.851051 -1.985399
H -3.344448 -3.301149 0.416053
H -2.737632 -2.490381 1.872318
H -3.689263 2.335783 0.791208
H -5.034726 1.264121 1.154817
H 2.803260 -1.182877 -1.948866
H 2.164590 0.111874 -2.990916
H -3.389853 -1.152917 -1.674907
H -4.801630 -2.118939 -1.200355
H -4.012499 -0.010128 2.940183
H -2.295152 -0.467215 2.888420
H -2.767381 1.253965 2.837772
H 0.968662 0.584108 2.382467
H 2.611215 0.067787 1.887149
H 2.176752 1.791905 1.886208
H -5.269872 2.167668 -1.149727
H -3.670175 1.547193 -1.615517
H -5.401036 -0.003921 -2.448857
H 1.467233 -1.843364 1.360410
H 5.030734 2.273781 -0.989257
H 4.397725 2.403159 0.687994
H 4.194185 -1.642762 -0.081263
H -6.446294 -0.183715 0.215988


