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	hartrees
Energy at 0K	-175.546722
Energy at 298.15K
HF Energy	-175.546722
Nuclear repulsion energy	33.863075

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'	3747	3747	42.48	54.97	0.18	0.31
2	A'	1424	1424	56.76	3.20	0.39	0.57
3	A'	1014	1014	8.50	11.38	0.23	0.38

Atom	x (Å)	y (Å)
O1	0.053	0.700
H2	-0.905	0.848
F3	0.053	-0.716

	O1	H2	F3
O1		0.9695	1.4164
H2	0.9695		1.8344
F3	1.4164	1.8344

Number	Element	Mulliken
1	O	-0.109
2	H	0.286
3	F	-0.177

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

using model chemistry: B3PW91/aug-cc-pCVTZ

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
	-1.681	0.882	0.000	1.898
CHELPG
AIM
ESP

	x	y	z
x	1.516	-0.131	0.000
y	-0.131	2.211	0.000
z	0.000	0.000	1.322

<r²>	16.500
(<r²>)^1/2	4.062