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	hartrees
Energy at 0K	-535.665101
Energy at 298.15K	-535.666174
HF Energy	-535.665101
Nuclear repulsion energy	49.891715

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'	3585	3526	41.48	63.59	0.29	0.45
2	A'	1262	1242	46.10	5.24	0.65	0.79
3	A'	705	693	1.82	14.26	0.31	0.47

Atom	x (Å)	y (Å)
O1	0.037	1.128
H2	-0.928	1.326
Cl3	0.037	-0.609

	O1	H2	Cl3
O1		0.9851	1.7369
H2	0.9851		2.1624
Cl3	1.7369	2.1624

Number	Element	Mulliken
1	O	-0.565
2	H	0.425
3	Cl	0.140

All results from a given calculation for HOCl (hypochlorous acid)

using model chemistry: PBEPBEultrafine/6-31G*

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
	-1.696	0.305	0.000	1.723
CHELPG
AIM
ESP

	x	y	z
x	1.671	-0.232	0.000
y	-0.232	3.191	0.000
z	0.000	0.000	1.231

<r²>	29.979
(<r²>)^1/2	5.475