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	hartrees
Energy at 0K	-609.696921
Energy at 298.15K	-609.698976
HF Energy	-609.696921
Nuclear repulsion energy	116.907062

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4074	3700	136.37
2	A	1377	1251	62.03
3	A	999	907	110.72
4	A	853	774	83.51
5	A	458	416	91.78
6	A	358	325	53.22

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.119	-0.447	0.021
O2	1.293	0.317	-0.115
O3	-1.223	0.540	-0.018
H4	1.471	0.744	0.711

	Cl1	O2	O3	H4
Cl1		1.6113	1.4815	2.1036
O2	1.6113		2.5272	0.9462
O3	1.4815	2.5272		2.7985
H4	2.1036	0.9462	2.7985

Number	Element	Mulliken
1	Cl	0.738
2	O	-0.390
3	O	-0.615
4	H	0.267

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

using model chemistry: HF/cc-pVQZ

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
	2.485	-1.214	1.540	3.165
CHELPG
AIM
ESP

	x	y	z
x	4.565	-0.035	0.075
y	-0.035	3.084	0.060
z	0.075	0.060	2.424

<r²>	50.049
(<r²>)^1/2	7.075