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	hartrees
Energy at 0K	-610.931568
Energy at 298.15K	-610.933411
HF Energy	-610.931568
Nuclear repulsion energy	110.530336

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3700	3540	60.23
2	A	1215	1163	55.30
3	A	989	946	63.35
4	A	627	600	80.74
5	A	422	403	142.22
6	A	306	293	3.90

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.139	-0.439	0.020
O2	1.421	0.310	-0.120
O3	-1.323	0.535	-0.019
H4	1.584	0.694	0.763

	Cl1	O2	O3	H4
Cl1		1.7361	1.5333	2.1918
O2	1.7361		2.7545	0.9764
O3	1.5333	2.7545		3.0143
H4	2.1918	0.9764	3.0143

Number	Element	Mulliken
1	Cl	0.739
2	O	-0.633
3	O	-0.543
4	H	0.437

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

using model chemistry: B3PW91/6-31G*

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
	1.859	-1.116	1.680	2.743
CHELPG
AIM
ESP

	x	y	z
x	4.964	-0.049	0.138
y	-0.049	2.419	0.118
z	0.138	0.118	1.886

<r²>	54.941
(<r²>)^1/2	7.412