%chk=000028679.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028679

0 1
 O   -3.437300      0.5762000       1.265100    
 O    3.809700     -0.2625000      0.5340000    
 C  -0.7825000     -0.6374000      8.2300000E-02
 C   0.7833000     -0.5427000     -0.3360000    
 C   -1.496900      0.7311000     -0.1575000    
 C    1.524800      0.5070000      0.5522000    
 C  -0.9464000      -1.034700       1.571800    
 C   -1.511100      -1.727000     -0.7476000    
 C   0.9474000     -0.1454000      -1.825400    
 C    1.484100      -1.916400     -0.1662000    
 C   -2.991400      0.7708000      0.1347000    
 C    3.021400      0.6559000      0.3106000    
 C   -3.912900       1.033100      -1.028800    
 C    3.507700       1.992000     -0.1892000    
 H   -1.056700       1.521400      0.4601000    
 H   -1.374100       1.046600      -1.198600    
 H    1.422800      0.2647000       1.615900    
 H    1.080000       1.498600      0.4180000    
 H   -1.980700      -1.301400       1.812400    
 H  -0.6558000     -0.2205000       2.243000    
 H  -0.3493000      -1.914100       1.828400    
 H   -1.101400      -2.726300     -0.5790000    
 H   -1.485400      -1.515200      -1.819900    
 H   -2.569500      -1.793900     -0.4691000    
 H   0.5829000      0.8666000      -2.023200    
 H   0.4330000     -0.8367000      -2.498200    
 H    2.003000     -0.1565000      -2.122200    
 H    1.584700      -2.199400      0.8857000    
 H   0.9594000      -2.720100     -0.6881000    
 H    2.489900      -1.915500     -0.5995000    
 H   -4.951100       1.025400     -0.6856000    
 H   -3.784600      0.2533000      -1.783200    
 H   -3.690400       2.013700      -1.456800    
 H    3.007100       2.237000      -1.129100    
 H    4.585900       1.949000     -0.3668000    
 H    3.301200       2.759600      0.5605000    


%chk=000028679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028679

0 1
O -3.217254 1.174965 1.287496
O 3.942715 -0.242830 0.280023
C -0.760331 -0.612650 0.066941
C 0.800755 -0.598980 -0.334414
C -1.411513 0.778040 -0.309675
C 1.594416 0.306460 0.690102
C -0.942537 -0.877734 1.587732
C -1.508343 -1.737210 -0.706443
C 1.016783 -0.057254 -1.777736
C 1.399939 -2.034054 -0.282766
C -2.880929 0.942543 0.093610
C 3.032051 0.632202 0.270977
C -3.923905 0.864104 -1.017458
C 3.330033 2.071816 -0.133094
H -0.849482 1.583839 0.200168
H -1.326671 0.929930 -1.400046
H 1.645365 -0.230827 1.654937
H 1.050087 1.253925 0.855283
H -2.007638 -1.030422 1.829308
H -0.600320 -0.029740 2.204468
H -0.392118 -1.783975 1.898256
H -1.131662 -2.733485 -0.419884
H -1.408225 -1.636537 -1.803178
H -2.585723 -1.718718 -0.460518
H 0.810523 1.024723 -1.864194
H 0.373581 -0.585620 -2.504566
H 2.063773 -0.224646 -2.090823
H 1.163121 -2.552219 0.664188
H 1.027350 -2.652549 -1.118010
H 2.499328 -1.978529 -0.358439
H -4.939397 0.853282 -0.591723
H -3.766813 -0.026836 -1.651970
H -3.822824 1.747749 -1.678650
H 2.641290 2.402882 -0.932975
H 4.372895 2.169270 -0.472292
H 3.162477 2.745383 0.730065


