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	hartrees
Energy at 0K	-535.969163
Energy at 298.15K	-535.970224
HF Energy	-535.969163
Nuclear repulsion energy	49.168580

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'	3593	3586	58.93	67.64	0.18	0.30
2	A'	1196	1193	42.89	4.31	0.34	0.50
3	A'	678	676	4.29	16.08	0.19	0.32

Atom	x (Å)	y (Å)
O1	0.037	1.147
H2	-0.925	1.348
Cl3	0.037	-0.619

	O1	H2	Cl3
O1		0.9829	1.7660
H2	0.9829		2.1896
Cl3	1.7660	2.1896

Number	Element	Mulliken
1	O	-0.371
2	H	0.131
3	Cl	0.240

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

using model chemistry: BLYP/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
	-1.459	0.291	0.000	1.488
CHELPG
AIM
ESP

	x	y	z
x	2.967	-0.176	0.000
y	-0.176	4.462	0.000
z	0.000	0.000	2.786

<r²>	30.983
(<r²>)^1/2	5.566