%chk=000118393.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118393

0 1
 O   -1.456900       1.745200     -0.2364000    
 O    2.912800       1.563700      -2.126300    
 O    4.797300       1.745100      0.6950000    
 C   -6.977800      -1.026700      0.8408000    
 C   -5.951400     -0.2337000      2.3399999E-02
 C   -8.300300      -1.356100      0.1229000    
 C   -4.635100      7.4000000E-03  0.7644000    
 C   -3.654600      0.8048000     -9.4499998E-02
 C   -8.009900      -2.144000      -1.157800    
 C   -9.109700     -0.1035000     -0.2140000    
 C   -2.325300       1.013100      0.6173000    
 C  -0.1126000       1.519500     -9.2000000E-02
 C   0.7294000       1.656800      -1.189500    
 C   0.3947000       1.157700       1.150600    
 C    2.614400       1.065600      0.2014000    
 C    2.097700       1.429000      -1.042300    
 C    1.762800      0.9299000       1.297800    
 C    4.038900      0.8187000      0.3763000    
 C    4.644800     -0.5325000      0.1853000    
 C    3.823900      -1.578100     -0.1694000    
 C    6.000300     -0.6786000      0.3709000    
 C    4.389800      -2.840400     -0.3481000    
 C    6.566100      -1.941000      0.1920000    
 C    5.760900      -3.021900     -0.1674000    
 H   -7.204200     -0.4713000       1.760000    
 H   -6.514500      -1.968800       1.162200    
 H   -5.721600     -0.7664000     -0.9057000    
 H   -6.379800      0.7345000     -0.2603000    
 H   -8.900000      -1.985200      0.7925000    
 H   -4.832700      0.5483000       1.697600    
 H   -4.189200     -0.9568000       1.036900    
 H   -4.084400       1.779500     -0.3571000    
 H   -3.477500      0.2888000      -1.046600    
 H   -8.944400      -2.530900      -1.579700    
 H   -7.540800      -1.526600      -1.930400    
 H   -7.360600      -3.002200     -0.9553000    
 H   -9.297400      0.4900000      0.6868000    
 H   -10.08030     -0.3785000     -0.6409000    
 H   -8.597000      0.5335000     -0.9416000    
 H   -2.480200       1.578900       1.543400    
 H   -1.916600      2.3100000E-02  0.8584000    
 H   0.3242000       1.939500      -2.157500    
 H  -0.2291000       1.069400       2.034700    
 H    2.154800      0.6526000       2.273200    
 H    2.754700      -1.476300     -0.3193000    
 H    6.646900      0.1471000      0.6504000    
 H    3.837500       1.402300      -1.879300    
 H    3.763300      -3.682300     -0.6282000    
 H    7.633800      -2.082800      0.3325000    
 H    6.201700      -4.004700     -0.3067000    


%chk=000118393-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118393

0 1
O -1.482286 0.767027 -0.935730
O 2.751822 2.436006 -2.316741
O 4.858518 1.598728 -1.235579
C -7.282615 -1.118073 0.804384
C -6.270369 -0.286437 -0.017830
C -8.785821 -0.839328 0.510469
C -4.803703 -0.607743 0.351674
C -3.791315 0.221369 -0.471982
C -9.171847 -1.181408 -0.949390
C -9.194115 0.611607 0.864522
C -2.344238 -0.080414 -0.080278
C -0.100204 0.688251 -0.781122
C 0.650650 1.543904 -1.612206
C 0.548876 -0.170512 0.160774
C 2.747727 0.646646 -0.624902
C 2.057391 1.552696 -1.528212
C 1.946890 -0.176607 0.222411
C 4.212930 0.665139 -0.595496
C 5.030194 -0.355714 0.134347
C 4.700598 -1.738268 0.144728
C 6.232594 0.074329 0.757371
C 5.548300 -2.666308 0.788235
C 7.067101 -0.851247 1.415481
C 6.725681 -2.225127 1.435393
H -7.094575 -0.938631 1.884182
H -7.081563 -2.196090 0.628299
H -6.417256 -0.473823 -1.100123
H -6.449942 0.795234 0.143003
H -9.364387 -1.517437 1.173967
H -4.651861 -0.416449 1.434884
H -4.616712 -1.691027 0.195729
H -3.982421 1.301949 -0.327343
H -3.921103 0.013770 -1.551247
H -10.262907 -1.081910 -1.100771
H -8.674533 -0.502450 -1.667024
H -8.886323 -2.218544 -1.208384
H -8.923544 0.862027 1.907759
H -10.285823 0.750302 0.754403
H -8.698555 1.343446 0.199582
H -2.160289 0.165164 0.985856
H -2.096925 -1.148313 -0.251544
H 0.146496 2.218858 -2.307262
H -0.027479 -0.806834 0.836415
H 2.440306 -0.808637 0.966514
H 3.812093 -2.092899 -0.387771
H 6.496841 1.135477 0.707902
H 3.755280 2.338918 -2.055997
H 5.295992 -3.732308 0.775203
H 7.984680 -0.506960 1.904709
H 7.378552 -2.946647 1.939135


