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	hartrees
Energy at 0K	-536.003656
Energy at 298.15K	-536.004732
HF Energy	-536.003656
Nuclear repulsion energy	50.391990

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'	3681	3624	61.50	65.77	0.17	0.29
2	A'	1240	1221	42.47	3.58	0.29	0.44
3	A'	704	693	7.35	13.98	0.19	0.32

Atom	x (Å)	y (Å)
O1	0.037	1.117
H2	-0.913	1.323
Cl3	0.037	-0.603

	O1	H2	Cl3
O1		0.9717	1.7198
H2	0.9717		2.1480
Cl3	1.7198	2.1480

Number	Element	Mulliken
1	O	-0.370
2	H	0.209
3	Cl	0.161

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

using model chemistry: B97D3/aug-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
	-1.452	0.346	0.000	1.493
CHELPG
AIM
ESP

	x	y	z
x	3.063	-0.154	0.000
y	-0.154	4.359	0.000
z	0.000	0.000	2.919

<r²>	29.815
(<r²>)^1/2	5.460