%chk=000005423.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005423

0 1
 O    5.173000      0.3104000      0.2710000    
 O   -3.510200       1.931300      -1.037200    
 O   -2.339500       1.567200      0.8796000    
 C  -0.9536000      -2.725300      0.3310000    
 C   -2.291000      -3.263000     -0.1872000    
 C   0.2593000      -3.326400     -0.3832000    
 C   -3.502800      -2.682600      0.5425000    
 C    1.541600      -2.775400      0.1710000    
 C    3.741800      -1.585000     -1.4000000E-02
 C    3.909200     -8.1100002E-02 -0.2693000    
 C    2.459600      -2.136600     -0.5693000    
 C   -4.803100      -3.257000      6.9999998E-04
 C    2.836700      0.7422000      0.3911000    
 C    2.041500       1.592100     -0.2760000    
 C  -0.8645000       4.043800      0.3498000    
 C    1.008700       2.374400      0.3635000    
 C   0.2136000       3.224200     -0.3036000    
 C   -2.250300       3.743100     -0.2229000    
 C   -2.670000       2.303800     -3.7400000E-02
 H  -0.9407000      -1.633400      0.2170000    
 H  -0.8821000      -2.928600       1.407300    
 H   -2.298800      -4.355600     -8.6999997E-02
 H   -2.373800      -3.043200      -1.258900    
 H   0.1833000      -3.135400      -1.460400    
 H   0.2621000      -4.414700     -0.2503000    
 H   -3.514600      -1.592100      0.4323000    
 H   -3.430400      -2.900500       1.614200    
 H    1.719000      -2.919000       1.234100    
 H    3.829300      -1.791400       1.061300    
 H    4.578700      -2.122400     -0.4786000    
 H    3.941000      0.1152000      -1.348100    
 H    2.290300      -2.004500      -1.635100    
 H   -5.657400      -2.829200      0.5347000    
 H   -4.834100      -4.344100      0.1254000    
 H   -4.919100      -3.029100      -1.063700    
 H    2.724900      0.6278000       1.467500    
 H    2.160500       1.705900      -1.350400    
 H  -0.8728000       3.877000       1.434000    
 H  -0.6360000       5.104700      0.1948000    
 H    5.861000     -0.1942000     -0.1958000    
 H   0.8820000       2.252200       1.436200    
 H   0.3383000       3.355100      -1.376400    
 H   -2.252800       3.977700      -1.294600    
 H   -3.001200       4.376000      0.2623000    
 H   -3.808400       1.002100     -0.9363000    


%chk=000005423-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005423

0 1
O 5.367972 0.362254 0.430381
O -3.516116 0.995057 -0.803193
O -2.454566 1.272541 1.242712
C -0.907108 -2.587758 0.383237
C -2.297498 -2.828123 -0.246266
C 0.259972 -3.134081 -0.484332
C -3.457233 -2.404411 0.686178
C 1.610288 -2.737315 0.073448
C 3.880811 -1.587319 -0.011938
C 4.097984 -0.053829 -0.212110
C 2.575837 -2.069143 -0.608719
C -4.841821 -2.464681 0.001981
C 3.001564 0.762471 0.417930
C 2.117340 1.525506 -0.287724
C -1.118211 3.678823 0.159030
C 0.983048 2.236494 0.299518
C 0.085811 2.972417 -0.422223
C -2.457538 3.126663 -0.400595
C -2.771773 1.737042 0.124912
H -0.763964 -1.501053 0.546600
H -0.867718 -3.061685 1.386091
H -2.412659 -3.900162 -0.510631
H -2.362983 -2.265954 -1.202318
H 0.160516 -2.758540 -1.522233
H 0.170976 -4.240447 -0.535225
H -3.258142 -1.384247 1.078188
H -3.462527 -3.061527 1.578904
H 1.783617 -2.981394 1.134793
H 3.915485 -1.808325 1.071807
H 4.741382 -2.112806 -0.484140
H 4.141454 0.158872 -1.303563
H 2.398825 -1.815445 -1.666472
H -5.650364 -2.152416 0.688096
H -5.068018 -3.491848 -0.340222
H -4.886904 -1.814204 -0.895558
H 2.917735 0.678780 1.511118
H 2.236093 1.603255 -1.380145
H -1.122026 3.581990 1.259590
H -1.075582 4.760572 -0.080423
H 6.082118 -0.268371 0.152055
H 0.842188 2.144503 1.386636
H 0.220237 3.054837 -1.513333
H -2.460707 3.101140 -1.503877
H -3.293662 3.787094 -0.093308
H -3.735934 0.101170 -0.419056


