%chk=000028579.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028579

0 1
 O    4.790000     -0.2693000     -0.5558000    
 O    1.431700     -5.0999999E-02  0.3434000    
 O   0.2198000       1.814300     -0.2670000    
 C    3.809100     -0.1999000      0.4818000    
 C    4.042800      -1.462500     -0.2865000    
 C    2.648900      0.6817000      0.1701000    
 C   -2.236200      0.3837000     -6.8400003E-02
 C   -3.426000     -0.5576000      0.1431000    
 C  -0.9014000     -0.2734000      0.2826000    
 C   -4.741300      0.1162000     -0.2482000    
 C   0.2845000      0.6454000      8.8100001E-02
 C   -5.921800     -0.8277000     -8.3099999E-02
 H    4.136500     -0.1526000       1.510800    
 H    3.314000      -1.772000      -1.024200    
 H    4.560300      -2.273700      0.2089000    
 H    2.655200       1.544200      0.8465000    
 H    2.702400       1.044900     -0.8635000    
 H   -2.211900      0.7162000      -1.113900    
 H   -2.371000       1.285700      0.5417000    
 H   -3.284300      -1.464500     -0.4573000    
 H   -3.467200     -0.8681000       1.194100    
 H  -0.9133000     -0.5904000       1.331500    
 H  -0.7548000      -1.155300     -0.3515000    
 H   -4.693600      0.4498000      -1.291300    
 H   -4.901600       1.006900      0.3704000    
 H   -5.807700      -1.713200     -0.7164000    
 H   -6.017300      -1.158100      0.9561000    
 H   -6.851700     -0.3249000     -0.3667000    


%chk=000028579-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000028579

0 1
O 5.158401 0.013125 0.068165
O 1.403870 -0.202578 0.338058
O 0.258820 1.774518 -0.114703
C 3.786071 -0.429697 0.522363
C 4.495533 -1.200748 -0.545769
C 2.685460 0.546938 0.181397
C -2.288112 0.323546 -0.150696
C -3.541506 -0.505840 0.203898
C -0.996858 -0.298500 0.418752
C -4.843175 0.095503 -0.373328
C 0.233465 0.558204 0.175278
C -6.097451 -0.729712 -0.013809
H 3.762478 -0.840864 1.539330
H 4.186677 -1.074302 -1.590958
H 4.967396 -2.158108 -0.295736
H 2.680634 1.418226 0.860837
H 2.775858 0.915823 -0.855544
H -2.199509 0.413542 -1.251245
H -2.395162 1.355287 0.234137
H -3.422773 -1.544185 -0.171408
H -3.634651 -0.582701 1.307910
H -1.093878 -0.433386 1.516019
H -0.813929 -1.307773 0.006214
H -4.751694 0.170917 -1.476034
H -4.961100 1.133097 -0.000192
H -6.017235 -1.763194 -0.400999
H -6.230415 -0.792373 1.082886
H -7.013116 -0.279967 -0.439521


