%chk=000120868.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120868

0 1
 O   0.5477000      -1.192400      -1.854200    
 O   -1.599500       2.475500      -2.283600    
 O    3.010600      -1.549600     -0.8327000    
 O    3.813400     -0.1567000       1.414200    
 O   -3.094000      -3.616300       1.049100    
 O   -4.344600      -1.732600       1.265900    
 C   -1.377700      0.6074000     -0.7977000    
 C  -8.8000000E-03  0.4617000     -0.1620000    
 C   0.4081000       1.169400      0.9855000    
 C  -0.4685000       2.153200       1.727900    
 C  -0.9557000       3.330400      0.8841000    
 C   -2.480200     -0.1052000     -1.7400000E-02
 C   -2.129900       2.979700     -1.4900000E-02
 C   -1.712000       2.052800      -1.130100    
 C   0.8862000     -0.4518000     -0.7572000    
 C    1.701400      0.9369000       1.496200    
 C   -2.239400      -1.602100      9.0800002E-02
 C    2.163000     -0.6626000     -0.2396000    
 C    2.571400      3.3100002E-02  0.8888000    
 C   -3.333400      -2.294600      0.8649000    
 C   0.8256000     -0.6195000      -3.128900    
 C    2.956900      -2.898800     -0.3766000    
 C    4.859400      0.6822000      0.9274000    
 H   -1.383000      0.1290000      -1.785100    
 H   -1.305700       1.623100       2.194500    
 H   0.1024000       2.576500       2.565200    
 H   -1.285300       4.124900       1.565200    
 H  -0.1290000       3.741500      0.2912000    
 H   -2.587900      0.3085000      0.9908000    
 H   -3.444700      7.5499997E-02 -0.5113000    
 H   -2.518500       3.896700     -0.4743000    
 H   -2.961300       2.543300      0.5461000    
 H    2.037600       1.469000       2.384500    
 H   -2.195400      -2.052700     -0.9067000    
 H   -1.303100      -1.807300      0.6199000    
 H   0.5365000      0.4356000      -3.172600    
 H   0.2562000      -1.169500      -3.883200    
 H    1.891300     -0.7179000      -3.356700    
 H    3.225200      -2.958100      0.6829000    
 H    3.679200      -3.483800     -0.9525000    
 H    1.959900      -3.321800     -0.5348000    
 H    5.786400      0.4039000       1.436100    
 H    4.641400       1.732400       1.146100    
 H    4.995500      0.5428000     -0.1497000    
 H   -3.819400      -4.054500       1.543200    


%chk=000120868-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120868

0 1
O 0.587670 -1.128110 -1.840056
O -1.450287 2.399041 -2.352315
O 3.200696 -1.338882 -0.792272
O 3.853722 0.163941 1.617411
O -3.242886 -3.681142 1.045079
O -4.295016 -1.724160 1.714419
C -1.419965 0.560130 -0.766669
C -0.040653 0.478391 -0.099179
C 0.321658 1.211982 1.073420
C -0.635848 2.163657 1.791140
C -1.145125 3.357889 0.939727
C -2.562907 -0.102517 0.054883
C -2.222334 2.996428 -0.126764
C -1.698361 2.021284 -1.173143
C 0.940285 -0.352222 -0.705496
C 1.636331 1.092765 1.579067
C -2.325497 -1.616544 0.211624
C 2.251218 -0.492326 -0.173194
C 2.606798 0.260045 0.976778
C -3.388488 -2.284097 1.058050
C 1.143967 -0.604858 -3.114656
C 2.902980 -2.786536 -0.654301
C 5.059432 0.374072 0.783745
H -1.338908 0.006470 -1.719093
H -1.511694 1.614662 2.189918
H -0.110042 2.574427 2.672359
H -1.596314 4.105583 1.620461
H -0.287625 3.849070 0.441669
H -2.670774 0.348717 1.055234
H -3.525651 0.063548 -0.466310
H -2.547411 3.913096 -0.649372
H -3.098873 2.559289 0.389752
H 1.939760 1.652707 2.469757
H -2.281130 -2.124160 -0.769939
H -1.343205 -1.810952 0.685729
H 0.726464 0.398452 -3.322658
H 0.823991 -1.317119 -3.890543
H 2.246450 -0.565253 -3.060302
H 2.922010 -3.076948 0.412598
H 3.706244 -3.304089 -1.200823
H 1.920330 -3.017902 -1.101120
H 5.908105 0.215691 1.466310
H 5.075689 1.411994 0.398696
H 5.089338 -0.341839 -0.053566
H -3.945843 -4.086474 1.622644


