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	hartrees
Energy at 0K	-175.566014
Energy at 298.15K
HF Energy	-175.566014
Nuclear repulsion energy	33.514020

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'	3716	3606	43.43	57.06	0.19	0.32
2	A'	1409	1367	56.13	3.50	0.45	0.62
3	A'	974	945	9.31	12.24	0.25	0.40

Atom	x (Å)	y (Å)
O1	0.054	0.708
H2	-0.910	0.853
F3	0.054	-0.724

	O1	H2	F3
O1		0.9747	1.4327
H2	0.9747		1.8485
F3	1.4327	1.8485

Number	Element	Mulliken
1	O	0.045
2	H	0.198
3	F	-0.243

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

using model chemistry: B3LYPultrafine/aug-cc-pVDZ

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
	-1.700	0.930	0.000	1.937
CHELPG
AIM
ESP

	x	y	z
x	1.474	-0.141	0.000
y	-0.141	2.220	0.000
z	0.000	0.000	1.247

<r²>	16.796
(<r²>)^1/2	4.098