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	hartrees
Energy at 0K	-249.807776
Energy at 298.15K	-249.808540
HF Energy	-249.807776
Nuclear repulsion energy	69.725472

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1552	1475	84.51
2	A'	699	664	95.37
3	A'	464	441	42.81

Atom	x (Å)	y (Å)
O1	1.130	0.142
O2	0.000	0.552
F3	-1.004	-0.616

	O1	O2	F3
O1		1.2021	2.2649
O2	1.2021		1.5407
F3	2.2649	1.5407

Number	Element	Mulliken
1	O	0.009
2	O	0.199
3	F	-0.208

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

using model chemistry: PBE1PBE/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
	0.721	0.806	0.000	1.082
CHELPG
AIM
ESP

	x	y	z
x	3.094	0.609	0.000
y	0.609	1.559	0.000
z	0.000	0.000	0.835

<r²>	34.546
(<r²>)^1/2	5.878