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	hartrees
Energy at 0K	-226.669287
Energy at 298.15K	-226.672481
HF Energy	-226.669287
Nuclear repulsion energy	77.537935

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3622	3570	2.15
2	A	1318	1299	22.93
3	A	872	860	4.54
4	A	499	492	48.66
5	A	384	378	120.14
6	B	3617	3565	40.36
7	B	1326	1307	35.52
8	B	636	627	145.78
9	B	446	439	87.17

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.602
O2	0.000	1.179	-0.245
O3	0.000	-1.179	-0.245
H4	-0.951	1.264	-0.448
H5	0.951	-1.264	-0.448

	O1	O2	O3	H4	H5
O1		1.4519	1.4519	1.8988	1.8988
O2	1.4519		2.3577	0.9760	2.6296
O3	1.4519	2.3577		2.6296	0.9760
H4	1.8988	0.9760	2.6296		3.1642
H5	1.8988	2.6296	0.9760	3.1642

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.086		O1	O3	H5	101.086
O2	O1	O3	108.574

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

using model chemistry: B97D3/TZVP

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	-0.063
2	O	-0.246
3	O	-0.246
4	H	0.278
5	H	0.278

	x	y	z	Total
	0.000	0.000	-0.989	0.989
CHELPG
AIM
ESP

	x	y	z
x	2.181	-0.429	0.000
y	-0.429	3.935	0.000
z	0.000	0.000	2.107

<r²>	41.566
(<r²>)^1/2	6.447

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

using model chemistry: B97D3/TZVP

States and conformations

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