%chk=000016833.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000016833

0 1
 O   -4.236500     -0.5782000     -0.1227000    
 O   -3.142700       1.314700      0.6214000    
 C    1.877500      0.2977000      0.1806000    
 C    3.162000     -0.4773000     -0.1232000    
 C   0.6358000     -0.5409000     -0.1272000    
 C    4.401900      0.3754000      0.1553000    
 C  -0.6472000      0.2447000      0.1441000    
 C    5.717500     -0.3414000     -0.1615000    
 C    6.955600      0.5193000      9.3099996E-02
 C   -1.884400     -0.6015000     -0.1308000    
 C    8.235400     -0.2606000     -0.1671000    
 C   -3.139300      0.1730000      0.1798000    
 C   -5.499100      5.4600000E-02  0.1083000    
 C   -6.526100      -1.000800      0.4894000    
 C   -5.910500      0.8212000      -1.139400    
 H    1.868500      0.5965000       1.235800    
 H    1.854800       1.217700     -0.4164000    
 H    3.198100      -1.388000      0.4865000    
 H    3.163500     -0.7904000      -1.174100    
 H   0.6483000      -1.450600      0.4853000    
 H   0.6555000     -0.8576000      -1.177200    
 H    4.403400      0.6787000       1.209600    
 H    4.347400       1.296400     -0.4386000    
 H  -0.6662000       1.146900     -0.4803000    
 H  -0.6525000      0.5831000       1.188100    
 H    5.710000     -0.6605000      -1.211200    
 H    5.778500      -1.253500      0.4453000    
 H    6.930800       1.405000     -0.5520000    
 H    6.954900      0.8725000       1.130700    
 H   -1.908900     -0.8951000      -1.185900    
 H   -1.872700      -1.501000      0.4941000    
 H    8.280000     -0.6060000      -1.204900    
 H    9.108800      0.3725000      1.7999999E-02
 H    8.303700      -1.133800      0.4895000    
 H   -5.430000      0.7524000      0.9526000    
 H   -6.203300      -1.539600       1.386800    
 H   -7.505800     -0.5538000      0.6830000    
 H   -6.631400      -1.748100     -0.3048000    
 H   -5.171900       1.591100      -1.386100    
 H   -6.882500       1.305900      -1.005300    
 H   -5.969100      0.1532000      -2.005900    


%chk=000016833-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000016833

0 1
O -4.314375 -0.566284 -0.043815
O -3.312034 1.492852 0.416929
C 1.919774 0.368180 0.151733
C 3.219930 -0.407808 -0.156532
C 0.638803 -0.437883 -0.159523
C 4.502078 0.398490 0.150351
C -0.656061 0.342144 0.156029
C 5.802396 -0.380101 -0.151445
C 7.085127 0.427284 0.152411
C -1.921812 -0.477256 -0.160409
C 8.379095 -0.360855 -0.145597
C -3.212338 0.282184 0.106791
C -5.682605 0.041985 0.151069
C -6.588390 -1.124903 0.550132
C -6.103486 0.744519 -1.147955
H 1.914997 0.664925 1.221425
H 1.908978 1.312357 -0.431772
H 3.231593 -1.350630 0.429818
H 3.223441 -0.707477 -1.225735
H 0.653512 -1.384429 0.421014
H 0.643597 -0.730290 -1.230968
H 4.496954 0.702258 1.218324
H 4.493234 1.339117 -0.439424
H -0.677785 1.286701 -0.420156
H -0.665789 0.636519 1.223420
H 5.808214 -0.686317 -1.218802
H 5.813807 -1.319464 0.440476
H 7.075445 1.363410 -0.442676
H 7.076386 0.736945 1.217613
H -1.928607 -0.786985 -1.225161
H -1.946439 -1.418655 0.421497
H 8.425552 -0.657840 -1.210553
H 9.280760 0.238952 0.077517
H 8.428677 -1.284583 0.461554
H -5.592436 0.782905 0.967520
H -6.220688 -1.611160 1.469791
H -7.615236 -0.759732 0.733412
H -6.625117 -1.881276 -0.253533
H -5.406909 1.563780 -1.392309
H -7.114970 1.175765 -1.032705
H -6.125467 0.026456 -1.987055


