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	hartrees
Energy at 0K	-250.061522
Energy at 298.15K	-250.062274
HF Energy	-250.061522
Nuclear repulsion energy	68.467926

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1494	1434	84.97
2	A'	702	674	92.03
3	A'	450	432	22.70

Atom	x (Å)	y (Å)
O1	1.146	0.182
O2	0.000	0.563
F3	-1.019	-0.662

	O1	O2	F3
O1		1.2080	2.3238
O2	1.2080		1.5930
F3	2.3238	1.5930

Number	Element	Mulliken
1	O	0.018
2	O	0.187
3	F	-0.205

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

using model chemistry: TPSSh/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
	0.821	0.855	0.000	1.185
CHELPG
AIM
ESP

	x	y	z
x	3.204	0.683	0.000
y	0.683	1.618	0.000
z	0.000	0.000	0.837

<r²>	35.620
(<r²>)^1/2	5.968