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	hartrees
Energy at 0K	-250.134982
Energy at 298.15K	-250.135279
Nuclear repulsion energy	65.134334

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1631	1576	122.13
2	A'	421	407	0.48
3	A'	209	202	1.63

Atom	x (Å)	y (Å)
O1	1.153	0.346
O2	0.000	0.617
F3	-1.025	-0.856

	O1	O2	F3
O1		1.1847	2.4881
O2	1.1847		1.7943
F3	2.4881	1.7943

Number	Element	Mulliken	ESP
1	O	0.085	0.071
2	O	0.134	0.139
3	F	-0.219	-0.209

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

using model chemistry: B3LYP/6-311G*

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
	1.402	1.345	0.000	1.943
CHELPG
AIM
ESP	1.423	1.390	0.000	1.989

	x	y	z
x	3.421	1.284	0.000
y	1.284	2.144	0.000
z	0.000	0.000	0.626

<r²>	40.081
(<r²>)^1/2	6.331