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	hartrees
Energy at 0K	-250.168128
Energy at 298.15K	-250.168463
HF Energy	-250.168128
Nuclear repulsion energy	67.472301

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1558	1504	149.87
2	A'	523	505	13.29
3	A'	177	171	39.40

Atom	x (Å)	y (Å)
O1	1.142	0.251
O2	0.000	0.579
F3	-1.015	-0.738

	O1	O2	F3
O1		1.1882	2.3732
O2	1.1882		1.6627
F3	2.3732	1.6627

Number	Element	Mulliken
1	O	0.056
2	O	0.194
3	F	-0.250

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

using model chemistry: B3LYP/TZVP

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
	1.420	1.351	0.000	1.960
CHELPG
AIM
ESP

	x	y	z
x	3.644	1.101	0.000
y	1.101	2.114	0.000
z	0.000	0.000	0.888

<r²>	37.429
(<r²>)^1/2	6.118