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	hartrees
Energy at 0K	-535.948814
Energy at 298.15K	-535.949898
HF Energy	-535.948814
Nuclear repulsion energy	50.213996

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'	3762	3615	54.39	65.46	0.28	0.43
2	A'	1273	1223	46.57	4.33	0.67	0.80
3	A'	725	697	1.65	18.20	0.31	0.47

Atom	x (Å)	y (Å)
O1	0.037	1.121
H2	-0.913	1.328
Cl3	0.037	-0.606

	O1	H2	Cl3
O1		0.9722	1.7265
H2	0.9722		2.1545
Cl3	1.7265	2.1545

Number	Element	Mulliken
1	O	-0.504
2	H	0.351
3	Cl	0.153

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

using model chemistry: B3LYPultrafine/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
	-1.701	0.252	0.000	1.720
CHELPG
AIM
ESP

	x	y	z
x	1.637	-0.239	0.000
y	-0.239	3.231	0.000
z	0.000	0.000	1.227

<r²>	29.747
(<r²>)^1/2	5.454