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	hartrees
Energy at 0K	-226.659976
Energy at 298.15K	-226.663130
HF Energy	-226.659976
Nuclear repulsion energy	76.757801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3493	3464	0.99
2	A	1329	1318	23.13
3	A	864	857	4.27
4	A	490	486	52.30
5	A	366	363	97.05
6	B	3488	3459	16.72
7	B	1335	1324	38.11
8	B	653	648	104.41
9	B	444	441	107.87

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.604
O2	0.000	1.173	-0.242
O3	0.000	-1.173	-0.242
H4	-0.964	1.196	-0.481
H5	0.964	-1.196	-0.481

	O1	O2	O3	H4	H5
O1		1.4463	1.4463	1.8809	1.8809
O2	1.4463		2.3454	0.9932	2.5686
O3	1.4463	2.3454		2.5686	0.9932
H4	1.8809	0.9932	2.5686		3.0723
H5	1.8809	2.5686	0.9932	3.0723

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.209		O1	O3	H5	99.209
O2	O1	O3	108.361

All results from a given calculation for H₂O₃ (Hydrogen trioxide)

using model chemistry: BLYP/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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Number	Element	Mulliken
1	O	-0.078
2	O	-0.356
3	O	-0.356
4	H	0.395
5	H	0.395

	x	y	z	Total
	0.000	0.000	-1.067	1.067
CHELPG
AIM
ESP

	x	y	z
x	2.022	-0.493	0.000
y	-0.493	3.558	0.000
z	0.000	0.000	1.736

<r²>	41.772
(<r²>)^1/2	6.463

All results from a given calculation for H2O3 (Hydrogen trioxide)

using model chemistry: BLYP/6-31G*

States and conformations

All results from a given calculation for H₂O₃ (Hydrogen trioxide)