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	hartrees
Energy at 0K	-535.780960
Energy at 298.15K	-535.782072
HF Energy	-535.780960
Nuclear repulsion energy	51.352198

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'	3824	3676	84.42	61.86	0.17	0.29
2	A'	1277	1228	44.58	2.67	0.31	0.48
3	A'	786	756	9.51	15.21	0.21	0.35

Atom	x (Å)	y (Å)
O1	0.036	1.093
H2	-0.902	1.316
Cl3	0.036	-0.592

	O1	H2	Cl3
O1		0.9643	1.6843
H2	0.9643		2.1257
Cl3	1.6843	2.1257

Number	Element	Mulliken
1	O	-0.381
2	H	0.207
3	Cl	0.173

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

using model chemistry: PBE1PBE/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
	-1.498	0.376	0.000	1.544
CHELPG
AIM
ESP

	x	y	z
x	2.926	-0.149	0.000
y	-0.149	4.171	0.000
z	0.000	0.000	2.781

<r²>	29.115
(<r²>)^1/2	5.396