%chk=000097722.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097722

0 1
 O   -1.458300      -3.896900      -1.527100    
 O   -2.304900      -1.537700       2.516400    
 O   -2.471800       3.393200      -1.212900    
 O   -4.355300       2.897200      0.2044000    
 O    2.994600      0.5774000       2.542400    
 O    4.037700      0.2598000      -2.121200    
 O    4.794300      0.9086000      0.4623000    
 C  -0.5804000      -2.457000      0.1518000    
 C   -2.018500      -2.805100      0.4936000    
 C  -0.4135000      -1.083700     -0.5666000    
 C   -2.785300      -1.684900       1.179500    
 C  -0.2546000      -3.615000     -0.7917000    
 C   -2.563100      -3.278500     -0.8448000    
 C   -1.504600     -5.1199999E-02 -0.2964000    
 C   -2.630200     -0.3466000      0.5113000    
 C   0.9902000     -0.5470000     -0.2888000    
 C   -1.417500       1.211200     -0.9216000    
 C   -3.623800      0.6281000      0.7252000    
 C   -2.414400       2.136500     -0.6942000    
 C   -3.487300       1.853900      0.1109000    
 C    1.883300     -0.3867000      -1.340400    
 C    1.357100     -0.2257000       1.011900    
 C    2.638400      0.2641000       1.265200    
 C    3.164600      0.1029000      -1.087300    
 C    3.542200      0.4285000      0.2156000    
 C   -3.706000       3.870100     -0.6393000    
 C    2.745600       1.913300       2.975400    
 C    4.033000       1.520600      -2.787800    
 C    5.808700     -4.9600001E-02  0.7541000    
 H   4.6399999E-02  -2.522400       1.048200    
 H   -1.995500      -3.674500       1.168100    
 H  -0.4939000      -1.270200      -1.648600    
 H   -3.847300      -1.954400       1.233100    
 H   0.5623000      -3.406000      -1.488600    
 H   2.4000001E-03  -4.518300     -0.2266000    
 H   -3.367700      -4.010600     -0.7269000    
 H   -2.931400      -2.462300      -1.474400    
 H  -0.5871000       1.460400      -1.574700    
 H   -4.483500      0.4202000       1.354700    
 H   -2.460600      -2.378800       2.978800    
 H    1.596300     -0.6390000      -2.357900    
 H   0.6578000     -0.3435000       1.835800    
 H   -3.493700       4.765300     -4.3699998E-02
 H   -4.389200       4.141700      -1.452200    
 H    1.674000       2.134100       2.939900    
 H    3.297400       2.628200       2.356900    
 H    3.088400       2.008000       4.009300    
 H    3.054400       1.711600      -3.239700    
 H    4.785100       1.491600      -3.581000    
 H    4.289200       2.325600      -2.091800    
 H    5.947400     -0.7331000     -8.9500003E-02
 H    5.557100     -0.6144000       1.657300    
 H    6.746100      0.4862000      0.9271000    


%chk=000097722-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000097722

0 1
O -1.361838 -3.844572 -1.733482
O -2.493868 -1.740264 2.525228
O -2.732986 3.463562 -0.907551
O -4.663288 2.806149 0.360379
O 2.892471 0.913564 2.395308
O 3.961798 0.003264 -2.357763
O 4.815779 0.962399 0.250345
C -0.634767 -2.476324 0.104569
C -2.089718 -2.930754 0.390348
C -0.544949 -1.084971 -0.604234
C -2.938379 -1.870085 1.104535
C -0.183948 -3.595898 -0.853209
C -2.579639 -3.385297 -1.006308
C -1.669497 -0.100753 -0.239507
C -2.814565 -0.484527 0.506221
C 0.851170 -0.489134 -0.390495
C -1.569862 1.229366 -0.751568
C -3.871002 0.439278 0.764496
C -2.608213 2.115362 -0.482816
C -3.742324 1.729579 0.263742
C 1.776859 -0.426174 -1.455009
C 1.236461 -0.009002 0.886859
C 2.532092 0.500344 1.090354
C 3.088157 0.071447 -1.257701
C 3.487958 0.514618 0.032115
C -3.952137 3.973565 -0.223843
C 3.250921 2.345310 2.519619
C 4.709679 1.231969 -2.705641
C 5.616198 0.039715 1.094310
H -0.043947 -2.462933 1.035697
H -2.040156 -3.825940 1.044932
H -0.651697 -1.278105 -1.692568
H -4.006351 -2.182027 1.099047
H 0.659299 -3.316978 -1.507579
H 0.072617 -4.522959 -0.300277
H -3.296144 -4.225543 -0.960608
H -3.033902 -2.552444 -1.577723
H -0.695175 1.540870 -1.328882
H -4.743033 0.138972 1.351803
H -2.664378 -2.604743 2.984027
H 1.507696 -0.767779 -2.460450
H 0.535731 -0.010624 1.728615
H -3.647269 4.655402 0.592288
H -4.604605 4.455518 -0.968376
H 2.375794 2.977515 2.276463
H 4.097144 2.598662 1.856449
H 3.530988 2.485207 3.574906
H 4.004364 2.033581 -2.998937
H 5.333615 0.950310 -3.567515
H 5.333716 1.566281 -1.860915
H 5.714904 -0.941335 0.594020
H 5.142425 -0.081938 2.084861
H 6.604401 0.514493 1.194920


