%chk=000159550.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000159550

0 1
 O   -2.662000       3.428300     -0.6290000    
 O  -0.2577000       3.290500      0.5641000    
 O    2.349500       2.598500       1.500800    
 O    6.947400      -2.549100      0.2685000    
 O    7.672500      -1.191300      -1.404100    
 C   -2.820100      -2.194400      0.4057000    
 C   -5.351300     -0.6813000     -0.4131000    
 C   -4.101300      -2.874300     -0.1261000    
 C   -5.351900      -2.087200      0.2274000    
 C   -2.821400     -0.6863000      0.1245000    
 C   -3.995000      1.5600000E-02 -0.2465000    
 C   -2.703200      -2.413700       1.930400    
 C   -1.630500      -2.907800     -0.2803000    
 C   -5.669800     -0.7907000      -1.920800    
 C   -6.493600      0.1093000      0.2685000    
 C   -1.620100      4.2100001E-02  0.2760000    
 C   -3.897400       1.400900     -0.5075000    
 C   -1.556300       1.412400      3.1099999E-02
 C   -2.695000       2.091400     -0.3692000    
 C  -0.2875000       2.107500      0.1975000    
 C   0.9859000       1.345900     -4.9199998E-02
 C    2.151700       1.594400      0.5762000    
 C    3.364900      0.8040000      0.2881000    
 C    4.221300       1.222400     -0.7152000    
 C    3.618200     -0.3385000       1.027300    
 C    5.367000      0.4750000     -0.9882000    
 C    4.763900      -1.086000      0.7544000    
 C    5.638400     -0.6792000     -0.2533000    
 C    6.833100      -1.458200     -0.5378000    
 H   -4.187300      -3.890100      0.2810000    
 H   -4.045200      -2.994100      -1.215500    
 H   -6.236400      -2.650400     -9.7499996E-02
 H   -5.433500      -2.008700       1.318900    
 H   -1.746100      -2.045600       2.318500    
 H   -3.491800      -1.890200       2.481800    
 H   -2.767200      -3.478300       2.182600    
 H  -0.6631000      -2.611100      0.1383000    
 H   -1.704100      -3.995300     -0.1598000    
 H   -1.605600      -2.691600      -1.355000    
 H   -5.792300      0.1976000      -2.379400    
 H   -4.872400      -1.300100      -2.472800    
 H   -6.601000      -1.343800      -2.089000    
 H   -6.263100      0.3095000       1.321600    
 H   -6.686200       1.072000     -0.2163000    
 H   -7.434100     -0.4535000      0.2333000    
 H  -0.7352000     -0.4838000      0.6253000    
 H   -4.776200       1.952900     -0.8329000    
 H   -3.549700       3.724800     -0.8929000    
 H   0.9213000      0.5263000     -0.7614000    
 H    1.509500       3.069100       1.631600    
 H    4.020700       2.120000      -1.294000    
 H    2.943900     -0.6648000       1.814600    
 H    6.035600      0.8088000      -1.777400    
 H    4.936500      -1.977600       1.350600    
 H    7.756300      -3.067100      6.8999998E-02


%chk=000159550-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000159550

0 1
O -2.337446 3.180042 -0.943365
O -0.068936 2.973015 0.726970
O 2.354378 2.811018 0.769596
O 7.395857 -2.300925 -1.003508
O 8.563007 -0.476772 -0.165058
C -3.168917 -2.304276 0.758097
C -5.507880 -0.652880 -0.480581
C -4.481588 -2.915812 0.191093
C -5.684744 -1.969757 0.328073
C -3.012129 -0.843591 0.278441
C -4.092698 -0.074910 -0.259014
C -3.200516 -2.328402 2.317175
C -1.986212 -3.191797 0.274620
C -5.699962 -0.933907 -2.003549
C -6.610376 0.341792 -0.016734
C -1.755127 -0.210399 0.422089
C -3.841611 1.264261 -0.647367
C -1.498289 1.133912 0.055470
C -2.579315 1.875035 -0.502233
C -0.151137 1.706212 0.273293
C 1.034403 0.959760 0.056562
C 2.304918 1.566380 0.319501
C 3.602546 0.857868 0.103564
C 4.802898 1.533720 0.456162
C 3.682378 -0.452494 -0.442427
C 6.051040 0.916107 0.272011
C 4.929924 -1.074436 -0.630677
C 6.122492 -0.393111 -0.273153
C 7.463964 -1.008972 -0.454033
H -4.684493 -3.867839 0.719831
H -4.330686 -3.175115 -0.875833
H -6.608093 -2.473507 -0.018995
H -5.844650 -1.719875 1.395599
H -2.281315 -1.881182 2.737077
H -4.057891 -1.759036 2.717987
H -3.274205 -3.370356 2.682463
H -1.029091 -2.915725 0.752603
H -2.186437 -4.249163 0.531847
H -1.857833 -3.122342 -0.821114
H -5.562660 -0.011445 -2.596534
H -4.975388 -1.679400 -2.376228
H -6.720677 -1.316059 -2.193820
H -6.441911 0.666666 1.026028
H -6.664352 1.243232 -0.653423
H -7.598487 -0.153197 -0.067939
H -0.929187 -0.771282 0.872302
H -4.657689 1.856241 -1.081994
H -3.162460 3.579113 -1.318288
H 0.959090 -0.048783 -0.347385
H 1.017194 3.174161 0.830228
H 4.720359 2.543127 0.869699
H 2.774039 -0.990657 -0.729905
H 6.981880 1.425788 0.540619
H 4.996365 -2.080736 -1.052745
H 8.320655 -2.654212 -1.099694


