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	hartrees
Energy at 0K	-534.841967
Energy at 298.15K	-534.843103
HF Energy	-534.841967
Nuclear repulsion energy	51.770659

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'	4078	3664	112.61	65.87	0.29	0.45
2	A'	1423	1279	47.92	2.19	0.75	0.86
3	A'	854	767	2.97	35.83	0.32	0.49

Atom	x (Å)	y (Å)
O1	0.035	1.082
H2	-0.883	1.331
Cl3	0.035	-0.588

	O1	H2	Cl3
O1		0.9512	1.6702
H2	0.9512		2.1268
Cl3	1.6702	2.1268

Number	Element	Mulliken
1	O	-0.690
2	H	0.480
3	Cl	0.211

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

using model chemistry: HF/6-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	Total
	-1.816	0.183	1.825
CHELPG	-1.876	0.248	1.892
AIM	0.322	0.622	0.701
ESP	-1.886	0.254	1.903

	x	y	z
x	1.511	-0.221	0.000
y	-0.221	3.163	0.000
z	0.000	0.000	1.194

<r²>	28.730
(<r²>)^1/2	5.360