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	hartrees
Energy at 0K	-535.909635
Energy at 298.15K	-535.910735
HF Energy	-535.909635
Nuclear repulsion energy	50.527710

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'	3783	3783	79.36	63.58	0.16	0.28
2	A'	1257	1257	44.33	2.75	0.30	0.46
3	A'	759	759	6.42	16.05	0.21	0.35

Atom	x (Å)	y (Å)
O1	0.036	1.113
H2	-0.909	1.328
Cl3	0.036	-0.602

	O1	H2	Cl3
O1		0.9694	1.7146
H2	0.9694		2.1486
Cl3	1.7146	2.1486

Number	Element	Mulliken
1	O	-0.387
2	H	0.197
3	Cl	0.190

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

using model chemistry: B3PW91/daug-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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	x	y	z	Total
	-1.487	0.338	0.000	1.525
CHELPG
AIM
ESP

	x	y	z
x	3.000	-0.152	0.000
y	-0.152	4.323	0.000
z	0.000	0.000	2.869

<r²>	29.720
(<r²>)^1/2	5.452