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	hartrees
Energy at 0K	-175.371780
Energy at 298.15K
HF Energy	-175.371780
Nuclear repulsion energy	33.437162

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3619	3581	20.85	48.26	0.30	0.46
2	A'	1365	1351	57.66	4.70	0.59	0.74
3	A'	961	951	2.87	7.09	0.26	0.42

Atom	x (Å)	y (Å)
O1	0.054	0.710
H2	-0.917	0.846
F3	0.054	-0.725

	O1	H2	F3
O1		0.9805	1.4355
H2	0.9805		1.8474
F3	1.4355	1.8474

Number	Element	Mulliken
1	O	-0.199
2	H	0.332
3	F	-0.133

All results from a given calculation for HOF (Hypofluorous acid)

using model chemistry: PBEPBEultrafine/6-31G(2df,p)

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
	-1.615	0.760	0.000	1.785
CHELPG
AIM
ESP

	x	y	z
x	1.256	-0.157	0.000
y	-0.157	1.814	0.000
z	0.000	0.000	0.862

<r²>	16.459
(<r²>)^1/2	4.057