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	hartrees
Energy at 0K	-175.578725
Energy at 298.15K
HF Energy	-175.578725
Nuclear repulsion energy	33.530754

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'	3700	3575	20.44	52.08	0.37	0.54
2	A'	1432	1384	52.59	6.76	0.72	0.84
3	A'	959	926	6.81	11.06	0.32	0.48

Atom	x (Å)	y (Å)
O1	0.053	0.708
H2	-0.907	0.856
F3	0.053	-0.724

	O1	H2	F3
O1		0.9715	1.4325
H2	0.9715		1.8490
F3	1.4325	1.8490

Number	Element	Mulliken
1	O	-0.273
2	H	0.424
3	F	-0.151

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

using model chemistry: B3LYPultrafine/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
	-1.943	0.955	0.000	2.165
CHELPG
AIM
ESP

	x	y	z
x	0.941	-0.170	0.000
y	-0.170	1.719	0.000
z	0.000	0.000	0.482

<r²>	16.584
(<r²>)^1/2	4.072