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	hartrees
Energy at 0K	-175.411234
Energy at 298.15K
HF Energy	-175.411234
Nuclear repulsion energy	33.152730

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'	3567	3530	12.30	52.68	0.37	0.54
2	A'	1377	1362	51.42	7.56	0.71	0.83
3	A'	908	899	4.73	8.72	0.32	0.48

Atom	x (Å)	y (Å)
O1	0.054	0.717
H2	-0.918	0.856
F3	0.054	-0.733

	O1	H2	F3
O1		0.9817	1.4496
H2	0.9817		1.8625
F3	1.4496	1.8625

Number	Element	Mulliken
1	O	-0.275
2	H	0.415
3	F	-0.140

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

using model chemistry: PBEPBE/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
	-1.906	0.902	0.000	2.109
CHELPG
AIM
ESP

	x	y	z
x	0.982	-0.164	0.000
y	-0.164	1.702	0.000
z	0.000	0.000	0.494

<r²>	16.829
(<r²>)^1/2	4.102