%chk=000005867.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005867

0 1
 O    2.985900      0.2360000       1.987900    
 O  -0.3954000      -2.400000      -1.153900    
 O    5.332200      0.5665000     -0.2330000    
 O   -5.419500     -0.2167000       2.345200    
 O    5.807500      -2.020200      0.5939000    
 C   0.8650000       1.187700      0.1926000    
 C    1.852100      5.9999999E-02 -0.2040000    
 C  -0.4869000       1.089500     -0.5324000    
 C   -1.153800     -0.2827000     -0.1737000    
 C    3.098900      0.5170000      0.5961000    
 C   -2.580200     -0.4449000     -0.8049000    
 C    1.689100       2.460700      1.9600000E-02
 C    1.221700      -1.277700      0.2009000    
 C    3.119700       2.051200      0.4211000    
 C   -1.401900       2.273600     -0.1761000    
 C  -0.1428000      -1.413300     -0.4658000    
 C   -3.379100      0.8007000     -0.3827000    
 C    2.170200      2.7100001E-02  -1.725800    
 C   -2.793900       2.129500     -0.7874000    
 C   -3.297700      -1.745800     -0.3215000    
 C   -2.525400     -0.5192000      -2.351100    
 C    4.396300     -0.1128000      0.1865000    
 C   -3.957900      -1.603700       1.043100    
 C   -4.475900      0.7557000      0.3962000    
 C   -5.010400     -0.4997000       1.010000    
 C    4.482100      -1.618500      0.3191000    
 H   0.6501000       1.103300       1.270500    
 H  -0.3080000       1.137200      -1.612000    
 H   -1.283400     -0.3110000      0.9194000    
 H    1.319000       3.274400      0.6520000    
 H    1.669000       2.814300      -1.017400    
 H    1.071200      -1.358600       1.283000    
 H    1.836100      -2.127000     -0.1118000    
 H    3.802200       2.392700     -0.3649000    
 H    3.406100       2.564800       1.346300    
 H  -0.9578000       3.211800     -0.5290000    
 H   -1.490300       2.357300      0.9153000    
 H    2.861100     -0.7859000      -1.970000    
 H    1.278500     -0.1406000      -2.336900    
 H    2.629400      0.9556000      -2.078900    
 H   -2.746700       2.210000      -1.878700    
 H   -3.417800       2.965100     -0.4476000    
 H   -2.613400      -2.598000     -0.2929000    
 H   -4.081100      -2.023400      -1.041300    
 H   -2.098600      -1.465900      -2.696700    
 H   -3.532900     -0.4497000      -2.780000    
 H   -1.933000      0.2827000      -2.799700    
 H   -4.433100      -2.548800       1.333400    
 H   -3.204300      -1.404900       1.815800    
 H   -4.990400       1.679600      0.6505000    
 H    3.717600      0.6776000       2.452300    
 H   -5.897000     -0.8245000      0.4550000    
 H    4.168900      -2.085100     -0.6170000    
 H    3.853400      -1.982600       1.134800    
 H   -4.641800      8.7499999E-02   2.844200    
 H    6.044700      -1.668500       1.469000    


%chk=000005867-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000005867

0 1
O 2.774505 0.087533 2.040114
O -0.443718 -2.398845 -1.268703
O 5.147501 0.174872 -0.687698
O -5.618604 -0.272530 2.343496
O 5.956728 -2.149993 0.367930
C 0.866487 1.194664 0.170277
C 1.843269 0.038515 -0.223327
C -0.487941 1.117388 -0.562025
C -1.172085 -0.267583 -0.230723
C 3.103280 0.460420 0.642841
C -2.612336 -0.415418 -0.857882
C 1.729530 2.471949 0.032278
C 1.189719 -1.314540 0.160835
C 3.164730 2.009736 0.453607
C -1.409819 2.296960 -0.168984
C -0.183563 -1.419107 -0.519335
C -3.414233 0.820493 -0.400787
C 2.204713 0.028836 -1.730934
C -2.826194 2.166388 -0.788112
C -3.325482 -1.724574 -0.382250
C -2.553159 -0.453946 -2.417200
C 4.396921 -0.252653 0.236649
C -3.971151 -1.618486 1.013895
C -4.529066 0.739528 0.379445
C -5.068540 -0.539322 0.990578
C 4.780690 -1.547155 0.953986
H 0.659978 1.056422 1.253511
H -0.316210 1.173713 -1.656212
H -1.296071 -0.267083 0.877878
H 1.356511 3.292452 0.668636
H 1.727393 2.839461 -1.010753
H 1.070716 -1.353904 1.260570
H 1.788925 -2.182148 -0.167897
H 3.916967 2.251541 -0.316304
H 3.497097 2.495668 1.391422
H -0.944606 3.248969 -0.490546
H -1.502112 2.333766 0.936500
H 2.889130 -0.805261 -1.965560
H 1.301565 -0.116552 -2.348635
H 2.698731 0.959491 -2.056229
H -2.749763 2.269993 -1.888714
H -3.472887 2.987738 -0.428676
H -2.618185 -2.568063 -0.429707
H -4.126046 -1.953791 -1.114933
H -2.096216 -1.400762 -2.748946
H -3.576745 -0.391256 -2.829875
H -1.969016 0.377680 -2.848671
H -4.401366 -2.588644 1.321722
H -3.213663 -1.341781 1.777425
H -5.081416 1.653216 0.643946
H 3.279245 0.678105 2.654695
H -5.957307 -0.906916 0.443997
H 3.925376 -2.252159 0.917050
H 4.956893 -1.327264 2.026724
H -4.881875 0.083193 2.905006
H 6.270373 -1.539551 -0.358795


