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	hartrees
Energy at 0K	-226.575435
Energy at 298.15K	-226.578662
HF Energy	-226.575435
Nuclear repulsion energy	77.858007

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3585	3545	1.40
2	A	1323	1308	27.47
3	A	898	888	2.24
4	A	501	496	30.52
5	A	384	380	104.38
6	B	3580	3540	44.56
7	B	1331	1316	38.44
8	B	677	670	141.32
9	B	446	441	78.63

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
O2	0.000	1.171	-0.244
O3	0.000	-1.171	-0.244
H4	-0.954	1.260	-0.450
H5	0.954	-1.260	-0.450

	O1	O2	O3	H4	H5
O1		1.4442	1.4442	1.8981	1.8981
O2	1.4442		2.3421	0.9803	2.6198
O3	1.4442	2.3421		2.6198	0.9803
H4	1.8981	0.9803	2.6198		3.1613
H5	1.8981	2.6198	0.9803	3.1613

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.326		O1	O3	H5	101.326
O2	O1	O3	108.358

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

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	-0.194
3	O	-0.194
4	H	0.233
5	H	0.233

	x	y	z	Total
	0.000	0.000	-0.881	0.881
CHELPG
AIM
ESP

	x	y	z
x	2.905	-0.434	0.000
y	-0.434	4.712	0.000
z	0.000	0.000	2.974

<r²>	41.451
(<r²>)^1/2	6.438

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

using model chemistry: PBEPBEultrafine/aug-cc-pVTZ

States and conformations

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