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	hartrees
Energy at 0K	-536.012937
Energy at 298.15K	-536.014013
HF Energy	-536.012937
Nuclear repulsion energy	50.529554

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'	3686	3686	63.32	67.27	0.16	0.28
2	A'	1241	1241	42.56	3.55	0.27	0.43
3	A'	705	705	8.02	13.35	0.20	0.33

Atom	x (Å)	y (Å)
O1	0.036	1.113
H2	-0.911	1.323
Cl3	0.036	-0.602

	O1	H2	Cl3
O1		0.9706	1.7146
H2	0.9706		2.1452
Cl3	1.7146	2.1452

Number	Element	Mulliken
1	O	-0.471
2	H	0.309
3	Cl	0.161

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

using model chemistry: B97D3/aug-cc-pVQZ

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
	-1.449	0.357	0.000	1.492
CHELPG
AIM
ESP

	x	y	z
x	3.110	-0.152	0.000
y	-0.152	4.388	0.000
z	0.000	0.000	2.971

<r²>	29.704
(<r²>)^1/2	5.450