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	hartrees
Energy at 0K	-249.949159
Energy at 298.15K
HF Energy	-249.949159
Nuclear repulsion energy	67.571036

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	414	411	27.29
2	A'	643	638	91.89
3	A'	1533	1520	127.05

Atom	x (Å)	y (Å)
O1	1.147	0.236
O2	0.000	0.572
F3	-1.020	-0.719

	O1	O2	F3
O1		1.1957	2.3681
O2	1.1957		1.6453
F3	2.3681	1.6453

Number	Element	Mulliken
1	O	0.004
2	O	0.243
3	F	-0.247

All results from a given calculation for FOO (Dioxygen monofluoride radical)

using model chemistry: PBEPBE/6-311+G(3df,2p)

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	1.356	1.285	0.000	1.868
CHELPG
AIM
ESP

	x	y	z
x	3.964	0.976	0.000
y	0.976	2.456	0.000
z	0.000	0.000	1.554

<r²>	37.265
(<r²>)^1/2	6.104