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	hartrees
Energy at 0K	-535.992941
Energy at 298.15K	-535.994030
HF Energy	-535.992941
Nuclear repulsion energy	50.106991

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'	3752	3641	76.78	64.31	0.17	0.30
2	A'	1246	1209	43.78	3.23	0.36	0.53
3	A'	734	712	5.19	18.33	0.21	0.34

Atom	x (Å)	y (Å)
O1	0.036	1.123
H2	-0.911	1.339
Cl3	0.036	-0.607

	O1	H2	Cl3
O1		0.9713	1.7303
H2	0.9713		2.1644
Cl3	1.7303	2.1644

Number	Element	Mulliken
1	O	-0.423
2	H	0.143
3	Cl	0.281

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

using model chemistry: B3LYPultrafine/aug-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
	-1.501	0.305	0.000	1.531
CHELPG
AIM
ESP

	x	y	z
x	2.830	-0.169	0.000
y	-0.169	4.280	0.000
z	0.000	0.000	2.655

<r²>	30.154
(<r²>)^1/2	5.491