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	hartrees
Energy at 0K	-175.356201
Energy at 298.15K
HF Energy	-175.356201
Nuclear repulsion energy	33.187251

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'	3565	3506	15.26	56.03	0.33	0.50
2	A'	1358	1335	55.69	6.51	0.65	0.79
3	A'	958	942	3.22	7.12	0.30	0.47

Atom	x (Å)	y (Å)
O1	0.054	0.717
H2	-0.924	0.842
F3	0.054	-0.731

	O1	H2	F3
O1		0.9865	1.4473
H2	0.9865		1.8521
F3	1.4473	1.8521

Number	Element	Mulliken
1	O	-0.273
2	H	0.419
3	F	-0.147

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

using model chemistry: PBEPBEultrafine/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
	-1.769	0.764	0.000	1.927
CHELPG
AIM
ESP

	x	y	z
x	1.080	-0.162	0.000
y	-0.162	1.681	0.000
z	0.000	0.000	0.579

<r²>	16.630
(<r²>)^1/2	4.078