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	hartrees
Energy at 0K	-6965.314298
Energy at 298.15K
HF Energy	-6965.314298
Nuclear repulsion energy	124.782082

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'	3299	3146	20.39	87.70	0.31	0.47
2	A'	1079	1029	55.99	7.38	0.59	0.74
3	A'	585	558	5.23	13.57	0.29	0.45

Atom	x (Å)	y (Å)
O1	0.016	1.751
I2	0.016	-0.302
H3	-0.973	1.978

	O1	I2	H3
O1		2.0524	1.0146
I2	2.0524		2.4851
H3	1.0146	2.4851

Number	Element	Mulliken
1	O	-0.486
2	I	0.131
3	H	0.355

All results from a given calculation for HOI (Hypoiodous acid)

using model chemistry: PBEPBE/3-21G*

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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	x	y	z	Total
	-1.547	-0.167	0.000	1.555
CHELPG
AIM
ESP

	x	y	z
x	3.624	-0.331	0.000
y	-0.331	5.438	0.000
z	0.000	0.000	3.136

<r²>	54.705
(<r²>)^1/2	7.396