%chk=000080131.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080131

0 1
 O   0.9803000      0.5655000     -0.3284000    
 O    4.676500      -1.222600     -0.4207000    
 O    4.429300       1.524100      0.4456000    
 O  -0.1024000      -1.498900     -0.4281000    
 O    2.297000      -2.770900      0.3677000    
 O   0.5710000       3.238800      0.1635000    
 O   -5.161400      0.4613000      0.5436000    
 C    3.507900     -0.6900000      0.2048000    
 C    3.390500      0.7826000     -0.1886000    
 C    2.281900      -1.483200     -0.2478000    
 C    2.033400       1.350900      0.2330000    
 C   0.9853000     -0.7777000      0.1497000    
 C    1.846300       2.785000     -0.2520000    
 C   -1.357400      -1.011300     -0.1865000    
 C   -1.818400     -0.9077000       1.122100    
 C   -2.164300     -0.6242000      -1.252100    
 C   -3.098900     -0.4121000       1.367700    
 C   -3.444800     -0.1285000      -1.006600    
 C   -3.912100     -2.2500001E-02  0.3035000    
 C   -5.939700      0.8415000     -0.5902000    
 H    3.659200     -0.7973000       1.286000    
 H    3.530600      0.8826000      -1.272000    
 H    2.315600      -1.649100      -1.331100    
 H    1.926200       1.346300       1.326400    
 H   0.8845000     -0.7844000       1.242900    
 H    1.882800       2.846500      -1.344700    
 H    2.603200       3.455600      0.1646000    
 H    5.434000     -0.6897000     -0.1238000    
 H    4.309000       1.447300       1.407400    
 H    2.269300      -2.645100       1.331500    
 H  -9.2500001E-02   2.631200     -0.2061000    
 H   -1.207100      -1.223200       1.962500    
 H   -1.803000     -0.7052000      -2.273600    
 H   -3.459000     -0.3355000       2.390000    
 H   -4.023100      0.1559000      -1.879100    
 H   -6.150600     -1.5400000E-02  -1.239100    
 H   -5.477500       1.671300      -1.135500    
 H   -6.902700       1.202700     -0.2148000    


%chk=000080131-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080131

0 1
O 1.228586 0.794157 -0.640275
O 4.536793 -1.512555 0.472158
O 4.775047 1.412891 0.546473
O -0.089057 -1.129633 -0.733159
O 1.871479 -2.544046 0.883985
O 1.120181 3.619043 -0.647360
O -5.474018 -0.201419 0.666710
C 3.382788 -0.623226 0.622801
C 3.613539 0.731676 -0.066520
C 2.177763 -1.386436 0.045736
C 2.320744 1.569464 -0.002248
C 0.928279 -0.493184 0.041493
C 2.375472 2.883021 -0.788319
C -1.440831 -0.836952 -0.369715
C -1.995243 -1.415178 0.796433
C -2.223653 -0.043325 -1.226909
C -3.344984 -1.175814 1.111139
C -3.584002 0.192268 -0.919310
C -4.141684 -0.370364 0.256479
C -6.343389 0.615274 -0.182850
H 3.188077 -0.436646 1.706886
H 3.919218 0.579434 -1.116095
H 2.406528 -1.685146 -0.997740
H 2.050227 1.783111 1.059561
H 0.586642 -0.284613 1.080134
H 2.596061 2.655620 -1.852706
H 3.164842 3.539538 -0.389428
H 5.354593 -0.985304 0.668308
H 4.532749 1.698181 1.466680
H 2.687859 -3.105539 0.923692
H 0.389204 2.992988 -0.892456
H -1.375143 -2.061233 1.427044
H -1.768445 0.376024 -2.129048
H -3.807332 -1.610423 2.002319
H -4.185886 0.807872 -1.594054
H -6.444284 0.178076 -1.195511
H -5.968473 1.654484 -0.262951
H -7.321349 0.612515 0.320323


