%chk=000062822.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000062822

0 1
 O    4.602700       2.619900       1.030300    
 O    4.577600       2.375500      -1.224600    
 O    6.954300      -2.309200     -0.7566000    
 O    6.017100      -1.863100       1.271700    
 C  -0.4534000      0.1902000      0.3897000    
 C   -1.736000     -0.4449000     -0.1573000    
 C   0.8217000     -0.4197000     -0.1987000    
 C   -3.013100      0.2130000      0.3727000    
 C    2.102400      0.2564000      0.3030000    
 C   -4.258900     -0.4131000     -0.2599000    
 C    3.375300     -0.2986000     -0.3493000    
 C   -5.567800      0.2303000      0.2068000    
 C    4.654100      0.3823000      0.1793000    
 C   -6.815900     -0.4426000     -0.3687000    
 C   -8.093200      0.1925000      0.1857000    
 C    5.895600     -0.2131000     -0.4969000    
 C   -9.341000     -0.5028000     -0.3584000    
 C    4.617200       1.877600     -0.1067000    
 C    6.272900      -1.533800      0.1223000    
 C   -10.61170      0.1034000      0.2156000    
 H  -0.4352000      8.6400002E-02   1.481400    
 H  -0.4678000       1.265600      0.1737000    
 H   -1.744600      -1.512700      9.4300002E-02
 H   -1.725500     -0.3777000      -1.252300    
 H   0.8580000      -1.488900      4.2900000E-02
 H   0.7827000     -0.3427000      -1.292400    
 H   -2.992200       1.286700      0.1510000    
 H   -3.057300      0.1074000       1.463100    
 H    2.024300       1.332200      0.1072000    
 H    2.169500      0.1351000       1.391100    
 H   -4.193700     -0.3324000      -1.352000    
 H   -4.280800      -1.484100     -2.2600001E-02
 H    3.428600      -1.378300     -0.1640000    
 H    3.301300     -0.1637000      -1.436100    
 H   -5.566300       1.291800     -7.0000000E-02
 H   -5.610500      0.1894000       1.302500    
 H    4.707600      0.2486000       1.267100    
 H   -6.805000     -0.3629000      -1.462300    
 H   -6.800700      -1.511100     -0.1216000    
 H   -8.119500       1.257000     -7.7200003E-02
 H   -8.088400      0.1301000       1.280800    
 H    5.716500     -0.3500000      -1.570000    
 H    6.759200      0.4530000     -0.3841000    
 H   -9.364600     -0.4228000      -1.451400    
 H   -9.310500      -1.570400     -0.1116000    
 H   -10.63410      8.3999997E-03   1.306000    
 H   -11.49140     -0.4078000     -0.1880000    
 H   -10.68920       1.165200     -3.8800001E-02
 H    4.564600       3.581200      0.8387000    
 H    7.213100      -3.169400     -0.3622000    


%chk=000062822-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000062822

0 1
O 4.636917 2.704830 0.966846
O 5.018209 2.333017 -1.290940
O 7.173161 -2.406162 -0.470641
O 5.510211 -2.261984 1.141176
C -0.438162 0.309365 0.245634
C -1.714999 -0.343244 -0.330339
C 0.865737 -0.274463 -0.343032
C -3.019180 0.234885 0.263702
C 2.139808 0.390693 0.224453
C -4.297097 -0.409790 -0.319083
C 3.432837 -0.214918 -0.363531
C -5.601010 0.166192 0.277733
C 4.740335 0.396582 0.225140
C -6.879536 -0.473856 -0.309136
C -8.183504 0.101129 0.288739
C 6.001795 -0.315630 -0.322230
C -9.462121 -0.537601 -0.300537
C 4.821200 1.869970 -0.144390
C 6.152831 -1.727325 0.211030
C -10.759968 0.042048 0.302797
H -0.429054 0.185935 1.348826
H -0.468636 1.402808 0.055680
H -1.682661 -1.437603 -0.145988
H -1.726283 -0.214475 -1.433067
H 0.901153 -1.365783 -0.143040
H 0.852937 -0.159991 -1.447180
H -3.048234 1.330464 0.085775
H -3.010915 0.099826 1.365696
H 2.101808 1.480053 0.018585
H 2.152697 0.281874 1.328184
H -4.306576 -0.272011 -1.420785
H -4.267351 -1.505794 -0.143962
H 3.449136 -1.300996 -0.154997
H 3.443982 -0.083236 -1.464128
H -5.628813 1.262821 0.106098
H -5.593393 0.025023 1.379003
H 4.712783 0.310806 1.325109
H -6.887759 -0.331220 -1.410274
H -6.851532 -1.570731 -0.138890
H -8.212360 1.198199 0.119923
H -8.177756 -0.042911 1.389689
H 5.993303 -0.341235 -1.426640
H 6.922624 0.233459 -0.042157
H -9.467049 -0.392863 -1.400371
H -9.431861 -1.633682 -0.132119
H -10.793774 -0.118057 1.397197
H -11.658478 -0.430258 -0.135649
H -10.828364 1.131612 0.122229
H 4.676671 3.656406 0.671707
H 7.274290 -3.318775 -0.084644


