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	hartrees
Energy at 0K	-250.062479
Energy at 298.15K	-250.063192
Nuclear repulsion energy	66.937198

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1434	1423	80.34
2	A'	676	671	72.75
3	A'	419	416	13.44

Atom	x (Å)	y (Å)
O1	1.172	0.197
O2	0.000	0.570
F3	-1.042	-0.682

	O1	O2	F3
O1		1.2296	2.3814
O2	1.2296		1.6286
F3	2.3814	1.6286

Number	Element	Mulliken
1	O	0.023
2	O	0.171
3	F	-0.194

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

using model chemistry: BLYP/6-31G**

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
	0.872	0.883	0.000	1.241
CHELPG
AIM
ESP

<r²>	37.052
(<r²>)^1/2	6.087