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	hartrees
Energy at 0K	-536.026972
Energy at 298.15K	-536.028064
HF Energy	-536.026972
Nuclear repulsion energy	50.716177

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'	3733	3733	68.47	68.39	0.17	0.28
2	A'	1256	1256	42.96	3.22	0.28	0.44
3	A'	744	744	7.15	14.62	0.21	0.35

Atom	x (Å)	y (Å)
O1	0.036	1.108
H2	-0.910	1.320
Cl3	0.036	-0.599

	O1	H2	Cl3
O1		0.9699	1.7075
H2	0.9699		2.1398
Cl3	1.7075	2.1398

Number	Element	Mulliken
1	O	-0.488
2	H	0.326
3	Cl	0.162

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

using model chemistry: TPSSh/daug-cc-pVTZ

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
	-1.476	0.381	0.000	1.524
CHELPG
AIM
ESP

	x	y	z
x	3.043	-0.156	0.000
y	-0.156	4.347	0.000
z	0.000	0.000	2.898

<r²>	29.567
(<r²>)^1/2	5.438