%chk=000080614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080614

0 1
 O  -0.4006000      1.9999999E-04  -1.035500    
 O   -2.709300       1.240500      3.6600001E-02
 O   -3.668000     -0.9459000      0.2766000    
 C   -2.720200     -0.1194000     -0.4123000    
 C   -1.341000     -0.7661000     -0.2931000    
 C   0.8972000     -2.1900000E-02 -0.5969000    
 C    3.530200     -6.8200000E-02  0.2959000    
 C    1.384500      -1.151200      5.1600002E-02
 C    1.713500       1.084300     -0.8034000    
 C    2.705300      -1.174400      0.4995000    
 C    3.034300       1.061100     -0.3555000    
 C    4.942500     -9.2900001E-02  0.7737000    
 C   -2.369200       1.415000       1.405400    
 C   -4.999200     -0.4610000      0.1573000    
 H   -2.993600     -8.7499999E-02  -1.474100    
 H   -1.074800     -0.8408000      0.7690000    
 H   -1.381200      -1.785100     -0.6977000    
 H   0.7858000      -2.044000      0.2032000    
 H    1.330900       1.965700      -1.309900    
 H    3.083100      -2.063200      0.9983000    
 H    3.667700       1.928600     -0.5216000    
 H    5.047400     -0.7212000       1.664900    
 H    5.597700     -0.4847000     -1.0700000E-02
 H    5.284500      0.9108000       1.048000    
 H   -2.597000       2.449100       1.679100    
 H   -1.298500       1.259000       1.561000    
 H   -2.948400      0.7530000       2.055200    
 H   -5.288900     -0.3889000     -0.8954000    
 H   -5.109500      0.5112000      0.6460000    
 H   -5.666600      -1.171400      0.6528000    


%chk=000080614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080614

0 1
O -0.396233 0.494746 -0.404647
O -3.103848 1.377044 0.150948
O -3.669935 -0.973360 0.224416
C -2.767186 0.044890 -0.310098
C -1.378876 -0.471509 0.087715
C 0.962453 0.195476 -0.185047
C 3.768029 -0.207895 0.144999
C 1.436000 -0.963376 0.474415
C 1.881612 1.153732 -0.679638
C 2.830962 -1.149599 0.630127
C 3.262861 0.947920 -0.513430
C 5.263495 -0.412641 0.319774
C -2.881313 1.618940 1.586737
C -5.050494 -0.824744 -0.259990
H -2.864829 0.131488 -1.410669
H -1.307931 -0.582389 1.187894
H -1.226083 -1.463503 -0.379572
H 0.746857 -1.718759 0.863584
H 1.491402 2.041765 -1.186567
H 3.190396 -2.051322 1.140784
H 3.964640 1.696444 -0.901815
H 5.485346 -1.386186 0.790331
H 5.792666 -0.380824 -0.651292
H 5.708022 0.375515 0.957224
H -3.373542 2.580585 1.797990
H -1.800994 1.704697 1.809987
H -3.337190 0.821107 2.203704
H -5.100680 -0.969978 -1.358576
H -5.453880 0.172796 -0.006308
H -5.633128 -1.610360 0.245019


