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	hartrees
Energy at 0K	-250.063982
Energy at 298.15K	-250.064269
Nuclear repulsion energy	64.273125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1718	1640	122.11
2	A'	387	369	1.31
3	A'	224	213	2.42

Atom	x (Å)	y (Å)
O1	1.151	0.400
O2	0.000	0.635
F3	-1.023	-0.920

	O1	O2	F3
O1		1.1748	2.5439
O2	1.1748		1.8615
F3	2.5439	1.8615

Number	Element	Mulliken
1	O	0.086
2	O	0.106
3	F	-0.192

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

using model chemistry: mPW1PW91/6-311G*

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
	1.299	1.270	0.000	1.816
CHELPG
AIM
ESP

<r²>	41.469
(<r²>)^1/2	6.440