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	hartrees
Energy at 0K	-30.836444
Energy at 298.15K	-30.837551
HF Energy	-30.836444
Nuclear repulsion energy	17.479720

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'	4012	3616	97.05	111.66	0.29	0.45
2	A'	1334	1203	24.18	6.11	0.70	0.82
3	A'	772	696	0.51	64.28	0.33	0.50

Atom	x (Å)	y (Å)
O1	0.036	1.148
H2	-0.888	1.426
Cl3	0.036	-0.624

	O1	H2	Cl3
O1		0.9642	1.7724
H2	0.9642		2.2488
Cl3	1.7724	2.2488

Number	Element	Mulliken
1	O	-0.576
2	H	0.401
3	Cl	0.175

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

using model chemistry: HF/CEP-31G

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
	-2.277	0.154	0.000	2.282
CHELPG
AIM
ESP

	x	y	z
x	0.908	-0.315	0.000
y	-0.315	4.224	0.000
z	0.000	0.000	0.292

<r²>	24.231
(<r²>)^1/2	4.922