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	hartrees
Energy at 0K	-250.085275
Energy at 298.15K	-250.085908
HF Energy	-250.085275
Nuclear repulsion energy	69.446948

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1574	1505	145.78
2	A'	611	585	57.40
3	A'	361	346	102.76

Atom	x (Å)	y (Å)
O1	1.123	0.186
O2	0.000	0.567
F3	-0.998	-0.669

	O1	O2	F3
O1		1.1861	2.2870
O2	1.1861		1.5893
F3	2.2870	1.5893

Number	Element	Mulliken
1	O	0.006
2	O	0.260
3	F	-0.265

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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
	1.172	1.185	0.000	1.666
CHELPG
AIM
ESP

	x	y	z
x	3.911	0.866	0.000
y	0.866	2.419	0.000
z	0.000	0.000	1.591

<r²>	35.296
(<r²>)^1/2	5.941