%chk=000097788.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097788

0 1
 O    2.234200      -1.329800     -0.7275000    
 O   -5.000600      0.7584000      -1.076800    
 C   0.1654000     -0.1746000       1.113800    
 C   0.5512000      -1.678600       1.031600    
 C    1.107000      -2.121200     -0.3329000    
 C    1.299700      0.6179000      0.4520000    
 C   -1.239600      7.8800000E-02  0.5177000    
 C   0.1120000      0.1839000       2.629200    
 C    2.224800     -3.9999999E-04 -0.4045000    
 C   7.9800002E-02  -2.114200      -1.470800    
 C    1.639900      -3.558700     -0.1896000    
 C    1.448300       2.000900      0.6898000    
 C   -1.388500      0.9712000     -0.5376000    
 C   -2.340200     -0.5877000       1.043900    
 C    3.263600      0.7399000     -0.9862000    
 C    2.480300       2.735000      0.1021000    
 C    3.390100       2.103100     -0.7354000    
 C   -2.655500       1.200100      -1.074200    
 C   -3.607100     -0.3588000      0.5072000    
 C   -3.764900      0.5351000     -0.5518000    
 H    1.346200      -1.855800       1.773300    
 H  -0.2779000      -2.331900       1.328800    
 H  -0.5137000     -0.5176000       3.193600    
 H    1.110700      0.1547000       3.082800    
 H  -0.3011000       1.184600       2.802800    
 H  -0.1568000      -1.102500      -1.806300    
 H   0.4838000      -2.617400      -2.357900    
 H  -0.8445000      -2.626000      -1.184700    
 H   0.8447000      -4.258600      8.7899998E-02
 H    2.096600      -3.904100      -1.124500    
 H    2.428900      -3.609600      0.5700000    
 H   0.7494000       2.531500       1.331600    
 H  -0.5630000       1.499600     -0.9989000    
 H   -2.247600      -1.287900       1.868300    
 H    3.981400      0.2529000      -1.642300    
 H    2.570000       3.799000      0.3000000    
 H    4.195800       2.669100      -1.192900    
 H   -2.765000       1.895000      -1.902600    
 H   -4.467600     -0.8798000      0.9181000    
 H   -4.923800       1.404000      -1.800200    


%chk=000097788-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000097788

0 1
O 2.368910 -1.402685 -0.609002
O -5.164516 0.756573 -0.974600
C 0.185231 -0.192337 1.107045
C 0.549700 -1.713259 1.036555
C 1.129116 -2.204899 -0.308878
C 1.306385 0.611774 0.421991
C -1.220236 0.088921 0.502067
C 0.141851 0.187466 2.625676
C 2.314652 -0.022519 -0.359305
C 0.174321 -2.066579 -1.512145
C 1.650571 -3.644849 -0.183356
C 1.406789 2.018236 0.592473
C -1.439269 0.999427 -0.560281
C -2.360542 -0.571875 1.038772
C 3.381101 0.723529 -0.923487
C 2.455165 2.772294 0.029076
C 3.453764 2.114518 -0.731053
C -2.733500 1.242876 -1.072526
C -3.657691 -0.343913 0.542783
C -3.845842 0.569011 -0.519824
H 1.313786 -1.917829 1.812412
H -0.336981 -2.323723 1.285900
H -0.545948 -0.479603 3.176463
H 1.147450 0.094436 3.073669
H -0.210702 1.222211 2.774580
H -0.066272 -1.013169 -1.723119
H 0.644912 -2.503138 -2.410427
H -0.776428 -2.595143 -1.317338
H 0.810869 -4.345732 -0.026928
H 2.182110 -3.936072 -1.105769
H 2.352801 -3.736323 0.663444
H 0.642411 2.532439 1.186849
H -0.589766 1.527765 -1.003652
H -2.243916 -1.280076 1.867649
H 4.134270 0.185130 -1.507530
H 2.497034 3.855726 0.182599
H 4.280523 2.682563 -1.171858
H -2.867849 1.952576 -1.899871
H -4.528315 -0.856423 0.962877
H -5.189549 1.412176 -1.715034


