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	hartrees
Energy at 0K	-175.439762
Energy at 298.15K
HF Energy	-175.439762
Nuclear repulsion energy	33.314304

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'	3628	3628	33.16	53.04	0.21	0.35
2	A'	1366	1366	55.42	3.92	0.48	0.64
3	A'	937	937	6.49	9.74	0.24	0.38

Atom	x (Å)	y (Å)
O1	0.054	0.713
H2	-0.916	0.851
F3	0.054	-0.729

	O1	H2	F3
O1		0.9798	1.4419
H2	0.9798		1.8538
F3	1.4419	1.8538

Number	Element	Mulliken
1	O	-0.111
2	H	0.266
3	F	-0.155

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

using model chemistry: PBEPBEultrafine/6-311+G(3df,2p)

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
	-1.668	0.866	0.000	1.880
CHELPG
AIM
ESP

	x	y	z
x	1.483	-0.126	0.000
y	-0.126	2.171	0.000
z	0.000	0.000	1.312

<r²>	16.924
(<r²>)^1/2	4.114