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	hartrees
Energy at 0K	-226.537602
Energy at 298.15K	-226.540835
HF Energy	-226.537602
Nuclear repulsion energy	77.843339

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3605	3573	1.82
2	A	1326	1314	22.97
3	A	887	879	4.49
4	A	512	508	50.32
5	A	386	383	107.16
6	B	3600	3567	37.80
7	B	1330	1318	36.09
8	B	658	652	127.50
9	B	459	455	97.79

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.603
O2	0.000	1.172	-0.244
O3	0.000	-1.172	-0.244
H4	-0.952	1.244	-0.464
H5	0.952	-1.244	-0.464

	O1	O2	O3	H4	H5
O1		1.4455	1.4455	1.8948	1.8948
O2	1.4455		2.3432	0.9796	2.6052
O3	1.4455	2.3432		2.6052	0.9796
H4	1.8948	0.9796	2.6052		3.1320
H5	1.8948	2.6052	0.9796	3.1320

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.014		O1	O3	H5	101.014
O2	O1	O3	108.290

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

using model chemistry: PBEPBE/6-311G**

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	-0.083
2	O	-0.223
3	O	-0.223
4	H	0.265
5	H	0.265

	x	y	z	Total
	0.000	0.000	-1.030	1.030
CHELPG
AIM
ESP

	x	y	z
x	2.001	-0.517	0.000
y	-0.517	3.625	0.000
z	0.000	0.000	1.799

<r²>	41.112
(<r²>)^1/2	6.412

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

using model chemistry: PBEPBE/6-311G**

States and conformations

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