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	hartrees
Energy at 0K	-175.463002
Energy at 298.15K
HF Energy	-175.463002
Nuclear repulsion energy	33.749974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3774	3617	30.92
2	A'	1413	1354	59.92
3	A'	1021	979	4.12

Atom	x (Å)	y (Å)
O1	0.053	0.703
H2	-0.909	0.841
F3	0.053	-0.719

	O1	H2	F3
O1		0.9718	1.4220
H2	0.9718		1.8323
F3	1.4220	1.8323

Number	Element	Mulliken
1	O	-0.196
2	H	0.361
3	F	-0.165

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

using model chemistry: B3PW91/6-31G**

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
	-1.807	0.818	0.000	1.984
CHELPG
AIM
ESP

	x	y	z
x	1.031	-0.160	0.000
y	-0.160	1.677	0.000
z	0.000	0.000	0.585

<r²>	16.259
(<r²>)^1/2	4.032