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	hartrees
Energy at 0K	-175.447776
Energy at 298.15K
HF Energy	-175.447776
Nuclear repulsion energy	33.231929

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'	3601	3561	30.94	60.11	0.18	0.31
2	A'	1354	1339	55.24	3.98	0.38	0.55
3	A'	942	931	6.91	9.59	0.22	0.36

Atom	x (Å)	y (Å)
O1	0.054	0.715
H2	-0.918	0.852
F3	0.054	-0.731

	O1	H2	F3
O1		0.9812	1.4458
H2	0.9812		1.8572
F3	1.4458	1.8572

Number	Element	Mulliken
1	O	-0.082
2	H	0.250
3	F	-0.168

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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
	-1.640	0.865	0.000	1.854
CHELPG
AIM
ESP

	x	y	z
x	1.632	-0.135	0.000
y	-0.135	2.308	0.000
z	0.000	0.000	1.435

<r²>	17.004
(<r²>)^1/2	4.124