%chk=000081317.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000081317

0 1
 O    3.527500       1.492200     -0.8747000    
 O    4.456400      0.1384000      0.8894000    
 O   -1.677000     -0.1750000     -5.1399998E-02
 O   -3.436800      -1.043300      -1.264500    
 C   0.6368000     -0.6917000     -0.3372000    
 C    2.655500      0.5432000     -0.4376000    
 C    3.186100     -0.2299000      0.5697000    
 C  -0.7586000     -0.9582000     -0.8206000    
 C    1.377600      0.3364000     -0.9153000    
 C    1.171200      -1.483000      0.6893000    
 C   -3.824800      0.5701000      0.5136000    
 C    2.468000      -1.252400       1.154800    
 C   -5.313000      0.4846000      0.1840000    
 C    4.666100       1.230300     -2.9100001E-02
 C   -2.994200     -0.3181000     -0.3845000    
 C   -6.140900       1.356400       1.114000    
 H  -0.8481000     -0.6969000      -1.882500    
 H   -1.000000      -2.023200     -0.7140000    
 H   0.9722000      0.9549000      -1.708500    
 H   -3.656400      0.2577000       1.550400    
 H   -3.478500       1.602400      0.3906000    
 H   0.5827000      -2.281200       1.134500    
 H   -5.484400      0.7952000     -0.8537000    
 H   -5.655400     -0.5541000      0.2638000    
 H    2.889600      -1.858900       1.948300    
 H    4.890900       2.135200      0.5470000    
 H    5.527900      0.9942000     -0.6640000    
 H   -7.202600       1.280900      0.8593000    
 H   -6.018600       1.044700       2.156200    
 H   -5.845800       2.407300       1.032300    


%chk=000081317-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000081317

0 1
O 2.702786 1.621496 -1.093463
O 4.141453 0.660860 0.570207
O -1.958475 -1.353518 0.315908
O -2.330815 0.190504 -1.396824
C 0.498593 -1.292462 -0.167973
C 2.100778 0.467794 -0.527436
C 2.950502 -0.096364 0.450472
C -0.822204 -1.955233 -0.482304
C 0.875716 -0.103719 -0.866199
C 1.358368 -1.853335 0.810237
C -3.679908 0.275681 0.679944
C 2.609207 -1.262767 1.138140
C -4.741582 1.140612 -0.031561
C 3.929312 1.858243 -0.289334
C -2.616403 -0.262526 -0.263113
C -5.734912 1.768130 0.967941
H -1.084158 -1.865351 -1.550586
H -0.836253 -3.009368 -0.165636
H 0.216380 0.336751 -1.618816
H -4.139460 -0.572956 1.218919
H -3.156976 0.877846 1.451710
H 1.049497 -2.765201 1.333469
H -4.231638 1.929135 -0.614665
H -5.287311 0.518905 -0.766870
H 3.274718 -1.698731 1.887080
H 3.773207 2.740924 0.358573
H 4.789168 1.967801 -0.968396
H -6.493989 2.376343 0.443734
H -6.267919 0.991228 1.548268
H -5.214280 2.427477 1.688172


