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	hartrees
Energy at 0K	-248.695347
Energy at 298.15K	-248.696065
Nuclear repulsion energy	64.567903

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1147	1141	21.46
2	A'	776	772	49.86
3	A'	400	397	2.70

Atom	x (Å)	y (Å)
O1	1.246	0.068
O2	0.000	0.580
F3	-1.107	-0.576

	O1	O2	F3
O1		1.3470	2.4396
O2	1.3470		1.6003
F3	2.4396	1.6003

Number	Element	Mulliken
1	O	-0.006
2	O	0.109
3	F	-0.103

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

using model chemistry: BLYP/3-21G

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
	0.416	0.467	0.000	0.625
CHELPG
AIM
ESP

<r²>	38.193
(<r²>)^1/2	6.180