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	hartrees
Energy at 0K	-226.525091
Energy at 298.15K	-226.528353
HF Energy	-226.525091
Nuclear repulsion energy	77.903455

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3547	3510	0.84
2	A	1368	1354	20.94
3	A	890	880	5.02
4	A	520	515	68.26
5	A	399	395	107.20
6	B	3543	3506	13.75
7	B	1374	1360	35.48
8	B	660	653	126.56
9	B	474	469	114.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.605
O2	0.000	1.169	-0.242
O3	0.000	-1.169	-0.242
H4	-0.949	1.241	-0.482
H5	0.949	-1.241	-0.482

	O1	O2	O3	H4	H5
O1		1.4436	1.4436	1.9029	1.9029
O2	1.4436		2.3384	0.9814	2.6013
O3	1.4436	2.3384		2.6013	0.9814
H4	1.9029	0.9814	2.6013		3.1244
H5	1.9029	2.6013	0.9814	3.1244

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.681		O1	O3	H5	101.681
O2	O1	O3	108.173

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	-0.063
2	O	-0.366
3	O	-0.366
4	H	0.398
5	H	0.398

	x	y	z	Total
	0.000	0.000	-1.116	1.116
CHELPG
AIM
ESP

	x	y	z
x	1.946	-0.515	0.000
y	-0.515	3.547	0.000
z	0.000	0.000	1.730

<r²>	41.081
(<r²>)^1/2	6.409

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)