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	hartrees
Energy at 0K	-610.707460
Energy at 298.15K	-610.709220
HF Energy	-610.707460
Nuclear repulsion energy	108.100943

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3554	3503	39.63
2	A	1135	1119	51.72
3	A	950	937	52.07
4	A	557	549	67.30
5	A	428	422	122.38
6	A	281	277	3.61

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.148	-0.437	0.019
O2	1.471	0.311	-0.122
O3	-1.360	0.536	-0.017
H4	1.632	0.655	0.790

	Cl1	O2	O3	H4
Cl1		1.7896	1.5551	2.2268
O2	1.7896		2.8423	0.9879
O3	1.5551	2.8423		3.1021
H4	2.2268	0.9879	3.1021

Number	Element	Mulliken
1	Cl	0.661
2	O	-0.587
3	O	-0.487
4	H	0.413

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

using model chemistry: PBEPBE/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
	1.642	-1.022	1.629	2.528
CHELPG
AIM
ESP

	x	y	z
x	5.310	-0.039	0.161
y	-0.039	2.456	0.123
z	0.161	0.123	1.960

<r²>	57.113
(<r²>)^1/2	7.557