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	hartrees
Energy at 0K	-535.825474
Energy at 298.15K	-535.826568
HF Energy	-535.682056
Nuclear repulsion energy	51.015820

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'	3799	3799	82.48	58.59	0.20	0.33
2	A'	1267	1267	44.96	2.91	0.43	0.60
3	A'	743	743	9.53	16.18	0.20	0.33

Atom	x (Å)	y (Å)
O1	0.036	1.101
H2	-0.903	1.325
Cl3	0.036	-0.596

	O1	H2	Cl3
O1		0.9656	1.6964
H2	0.9656		2.1380
Cl3	1.6964	2.1380

Number	Element	Mulliken
1	O	-0.306
2	H	0.273
3	Cl	0.033

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

using model chemistry: B2PLYP/6-311+G(3df,2p)

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
	-1.518	0.309	0.000	1.549
CHELPG
AIM
ESP

	x	y	z
x	2.765	-0.143	0.000
y	-0.143	4.121	-0.000
z	0.000	-0.000	2.633

<r²>	29.483
(<r²>)^1/2	5.430