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	hartrees
Energy at 0K	-535.713280
Energy at 298.15K	-535.714342
HF Energy	-535.713280
Nuclear repulsion energy	49.625072

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'	3597	3559	35.44	58.37	0.33	0.49
2	A'	1262	1249	44.34	6.01	0.72	0.84
3	A'	676	669	1.35	15.70	0.30	0.46

Atom	x (Å)	y (Å)
O1	0.037	1.134
H2	-0.918	1.351
Cl3	0.037	-0.613

	O1	H2	Cl3
O1		0.9794	1.7475
H2	0.9794		2.1842
Cl3	1.7475	2.1842

Number	Element	Mulliken
1	O	-0.535
2	H	0.420
3	Cl	0.115

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

using model chemistry: PBEPBEultrafine/6-311G*

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
	-1.861	0.281	0.000	1.882
CHELPG
AIM
ESP

	x	y	z
x	1.530	-0.237	0.000
y	-0.237	3.320	0.000
z	0.000	0.000	1.075

<r²>	30.503
(<r²>)^1/2	5.523