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	hartrees
Energy at 0K	-175.538221
Energy at 298.15K
HF Energy	-175.538221
Nuclear repulsion energy	33.753238

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'	3733	3603	31.01	47.56	0.30	0.46
2	A'	1418	1369	59.46	4.06	0.60	0.75
3	A'	1005	970	4.30	8.89	0.27	0.42

Atom	x (Å)	y (Å)
O1	0.053	0.703
H2	-0.907	0.847
F3	0.053	-0.719

	O1	H2	F3
O1		0.9710	1.4216
H2	0.9710		1.8372
F3	1.4216	1.8372

Number	Element	Mulliken
1	O	-0.189
2	H	0.338
3	F	-0.149

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

using model chemistry: B3LYPultrafine/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
	-1.663	0.816	0.000	1.853
CHELPG
AIM
ESP

	x	y	z
x	1.209	-0.159	0.000
y	-0.159	1.820	0.000
z	0.000	0.000	0.837

<r²>	16.263
(<r²>)^1/2	4.033