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	hartrees
Energy at 0K	-609.674170
Energy at 298.15K	-609.676193
HF Energy	-609.674170
Nuclear repulsion energy	116.269691

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4076	3710	135.82
2	A	1379	1255	58.09
3	A	972	885	97.59
4	A	849	773	80.17
5	A	448	408	91.43
6	A	340	310	58.79

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.118	-0.451	0.022
O2	1.300	0.319	-0.113
O3	-1.230	0.543	-0.020
H4	1.452	0.773	0.704

	Cl1	O2	O3	H4
Cl1		1.6191	1.4922	2.1048
O2	1.6191		2.5410	0.9471
O3	1.4922	2.5410		2.7878
H4	2.1048	0.9471	2.7878

Number	Element	Mulliken
1	Cl	0.662
2	O	-0.331
3	O	-0.569
4	H	0.238

All results from a given calculation for HOClO (Chlorous acid)

using model chemistry: HF/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	2.464	-1.268	1.559	3.180
CHELPG
AIM
ESP

	x	y	z
x	4.346	-0.028	0.081
y	-0.028	2.794	0.083
z	0.081	0.083	2.072

<r²>	50.360
(<r²>)^1/2	7.097