%chk=000079578.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079578

0 1
 O   -4.808300      0.5817000     -0.1305000    
 O   -3.801200      -1.318900      0.7023000    
 C    1.322500     -0.3263000      0.1892000    
 C    2.605000      0.4236000     -0.1786000    
 C   7.9499997E-02  0.5100000     -0.1224000    
 C    3.844500     -0.4278000      0.1045000    
 C   -1.203300     -0.2559000      0.2158000    
 C    5.157900      0.2633000     -0.2747000    
 C   -2.464300      0.5417000     -0.1159000    
 C    6.395200     -0.5993000     -1.4200000E-02
 C   -3.741500     -0.1964000      0.2197000    
 C    7.650300      0.1198000     -0.4144000    
 C   -6.096200      1.9000000E-03  0.1007000    
 C   -6.513700     -0.7962000      -1.125000    
 C   -7.091400       1.105800      0.4243000    
 C    8.665200      0.3730000      0.4193000    
 H    1.337400     -0.5806000       1.255900    
 H    1.277700      -1.270100     -0.3679000    
 H    2.663700       1.358700      0.3911000    
 H    2.582400      0.6926000      -1.241600    
 H   0.1104000       1.445600      0.4486000    
 H   7.4000001E-02  0.7788000      -1.185700    
 H    3.870400     -0.6865000       1.170400    
 H    3.767600      -1.372300     -0.4485000    
 H   -1.220100      -1.205200     -0.3346000    
 H   -1.204700     -0.5146000       1.282200    
 H    5.241300       1.201900      0.2884000    
 H    5.120700      0.5377000      -1.337100    
 H   -2.477900      0.7714000      -1.187500    
 H   -2.460100       1.481800      0.4474000    
 H    6.428300     -0.8845000       1.044200    
 H    6.325300      -1.527200     -0.5940000    
 H   -6.066400     -0.6656000      0.9714000    
 H    7.737500      0.4353000      -1.450900    
 H   -6.534100     -0.1595000      -2.016500    
 H   -7.504200      -1.241400     -0.9906000    
 H   -5.798900      -1.600000      -1.329800    
 H   -7.157100       1.826100     -0.3986000    
 H   -8.089500      0.7006000      0.6165000    
 H   -6.764900       1.666200       1.306900    
 H    9.550300      0.8905000      6.5700002E-02
 H    8.632800      7.2600000E-02   1.460600    


%chk=000079578-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079578

0 1
O -4.880947 0.599820 -0.075395
O -3.897335 -1.423285 0.554403
C 1.343112 -0.411367 0.093609
C 2.648617 0.345212 -0.239979
C 0.068789 0.405484 -0.216730
C 3.924065 -0.470601 0.068678
C -1.231969 -0.351340 0.130014
C 5.227570 0.291498 -0.259155
C -2.490180 0.479255 -0.186439
C 6.504721 -0.533867 0.053390
C -3.787319 -0.244125 0.142749
C 7.779303 0.191024 -0.324294
C -6.254571 0.028380 0.183551
C -6.699232 -0.772599 -1.048549
C -7.140291 1.236851 0.494995
C 8.799370 0.486720 0.520582
H 1.346071 -0.691173 1.167808
H 1.315366 -1.364193 -0.475005
H 2.675970 1.297232 0.330384
H 2.645081 0.626776 -1.314037
H 0.102756 1.361913 0.346518
H 0.063811 0.678609 -1.293207
H 3.926188 -0.756151 1.141451
H 3.900584 -1.420728 -0.505360
H -1.272599 -1.306645 -0.427316
H -1.232511 -0.624797 1.202820
H 5.260193 1.239846 0.313622
H 5.228561 0.574033 -1.332666
H -2.519045 0.754327 -1.259874
H -2.482667 1.439980 0.364321
H 6.525754 -0.796111 1.129303
H 6.445876 -1.491493 -0.507583
H -6.164330 -0.643731 1.057494
H 7.855949 0.499990 -1.379880
H -6.724461 -0.125348 -1.943273
H -7.713520 -1.181620 -0.886501
H -6.013978 -1.616723 -1.232870
H -7.176201 1.925529 -0.367458
H -8.169774 0.902452 0.718113
H -6.755828 1.791423 1.367974
H 9.694564 1.019434 0.179789
H 8.766586 0.202409 1.580105


