%chk=000085688.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085688

0 1
 O   4.9999999E-03  0.8681000      0.1180000    
 O   -2.050100       1.784600      0.6255000    
 C    2.166900       1.848500      0.4695000    
 C    2.398200     -0.6936000      0.6350000    
 C    2.836600      -1.117300     -0.5615000    
 C    2.660600      0.6309000       1.271300    
 C    1.600000      -1.750600       1.350500    
 C    3.665100     -0.3854000      -1.585900    
 C    2.545500       1.855100      -1.026000    
 C    3.852400       1.130800      -1.352700    
 C    2.375800      -2.521600     -0.8324000    
 C    1.289100      -2.736000      0.2183000    
 C   0.6533000       2.034800      0.6207000    
 C    2.388900      -2.402700       2.481900    
 C    5.039400      -1.044600      -1.745200    
 C   0.1765000       3.244200     -0.1784000    
 C   0.2799000       2.176100       2.092600    
 C   -1.362400      0.8752000      0.1813000    
 C   -1.886700     -0.4229000     -0.3850000    
 C   -3.391900     -0.4958000     -0.3928000    
 C   -4.055100      -1.017300      0.7084000    
 C   -4.091100     -3.9600000E-02  -1.500700    
 C   -5.448300      -1.084700      0.7015000    
 C   -5.484500     -0.1068000      -1.507500    
 C   -6.163000     -0.6293000     -0.4064000    
 H    2.663700       2.722100      0.9177000    
 H    2.277800      0.6385000       2.296400    
 H    3.747100      0.7184000       1.410900    
 H   0.6646000      -1.341800       1.748100    
 H    3.137600     -0.4870000      -2.545000    
 H    2.655000       2.900600      -1.343500    
 H    1.750300       1.433300      -1.653100    
 H    4.254800       1.559900      -2.280700    
 H    4.609500       1.329800     -0.5849000    
 H    1.966800      -2.637100      -1.840800    
 H    3.200400      -3.229500     -0.6978000    
 H   0.3149000      -2.501300     -0.2257000    
 H    1.242900      -3.778200      0.5514000    
 H    2.624500      -1.675600       3.266400    
 H    1.806800      -3.209700       2.939400    
 H    3.333500      -2.830100       2.127000    
 H    5.607200      -1.011600     -0.8085000    
 H    4.947900      -2.093300      -2.047500    
 H    5.628200     -0.5341000      -2.515200    
 H  -0.7955000       3.630700      0.1426000    
 H   0.8681000       4.087100     -6.1200000E-02
 H   7.9700001E-02   3.023700      -1.247400    
 H   0.1889000       1.207700       2.597500    
 H  -0.6733000       2.691100       2.250900    
 H    1.018800       2.780500       2.632200    
 H   -1.494500      -1.244500      0.2231000    
 H   -1.502600     -0.5461000      -1.404500    
 H   -3.508100      -1.372300       1.577300    
 H   -3.571900      0.3709000      -2.362100    
 H   -5.976700      -1.490700       1.559100    
 H   -6.041200      0.2483000      -2.369800    
 H   -7.247700     -0.6813000     -0.4116000    


%chk=000085688-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000085688

0 1
O -0.276667 0.922505 1.298813
O -2.042532 1.767757 2.599655
C 1.853806 1.798703 0.519326
C 2.150520 -0.813335 0.464725
C 2.098309 -1.220674 -0.838256
C 2.628526 0.525817 1.002095
C 1.759674 -1.942760 1.424904
C 2.434724 -0.436472 -2.096303
C 1.518702 1.737052 -1.000708
C 2.627890 1.090259 -1.871043
C 1.638250 -2.676473 -0.941322
C 1.094516 -2.997039 0.483192
C 0.605723 2.164188 1.392474
C 2.988896 -2.506938 2.187871
C 3.660427 -1.042373 -2.836183
C -0.159955 3.376671 0.815347
C 0.967374 2.409732 2.873831
C -1.530243 0.867519 1.893896
C -2.210902 -0.460107 1.545629
C -2.801136 -0.439400 0.135670
C -4.183175 -0.194385 -0.059085
C -1.972496 -0.645604 -0.997797
C -4.731430 -0.160454 -1.362156
C -2.520156 -0.615730 -2.299315
C -3.901730 -0.373384 -2.486647
H 2.546305 2.655645 0.673692
H 2.625311 0.492739 2.106693
H 3.691644 0.666674 0.723976
H 1.035238 -1.567179 2.177545
H 1.560546 -0.547777 -2.780660
H 1.326185 2.764668 -1.361009
H 0.577575 1.171684 -1.139591
H 2.642920 1.573060 -2.868344
H 3.627080 1.280232 -1.429900
H 0.868712 -2.821008 -1.726638
H 2.485394 -3.340325 -1.213321
H -0.004081 -2.866204 0.491695
H 1.305668 -4.034935 0.798510
H 3.506747 -1.716801 2.763997
H 2.683827 -3.296885 2.899622
H 3.720204 -2.942376 1.481187
H 4.563055 -0.991420 -2.198614
H 3.493183 -2.101085 -3.104370
H 3.867912 -0.485582 -3.769711
H -0.967179 3.686771 1.496637
H 0.538622 4.224038 0.684602
H -0.603551 3.141850 -0.165980
H 1.368700 1.502638 3.355635
H 0.077948 2.733526 3.436800
H 1.735549 3.202409 2.938194
H -3.002588 -0.624282 2.294622
H -1.461583 -1.266559 1.630876
H -4.829660 -0.026396 0.810516
H -0.899588 -0.820136 -0.852811
H -5.802222 0.029115 -1.498078
H -1.871009 -0.781490 -3.166960
H -4.326179 -0.351183 -3.496725


