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	hartrees
Energy at 0K	-609.461628
Energy at 298.15K	-609.462833
HF Energy	-609.461628
Nuclear repulsion energy	98.868343

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3870	3494	138.20
2	A	1402	1266	30.97
3	A	773	698	2.52
4	A	302	273	59.81
5	A	295	266	260.89
6	A	168	152	11.31

Atom	x (Å)	y (Å)	z (Å)
Cl1	0.088	-0.659	0.000
O2	1.252	0.668	-0.000
O3	-1.525	0.551	-0.000
H4	0.698	1.457	0.001

	Cl1	O2	O3	H4
Cl1		1.7656	2.0166	2.2028
O2	1.7656		2.7798	0.9645
O3	2.0166	2.7798		2.4008
H4	2.2028	0.9645	2.4008

Number	Element	Mulliken
1	Cl	0.467
2	O	-0.629
3	O	-0.304
4	H	0.466

All results from a given calculation for HOClO (Chlorous 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	z	Total
	0.418	0.499	0.003	0.651
CHELPG
AIM
ESP

	x	y	z
x	4.400	0.168	-0.000
y	0.168	3.725	0.000
z	-0.000	0.000	0.840

<r²>	62.280
(<r²>)^1/2	7.892