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	hartrees
Energy at 0K	-226.398357
Energy at 298.15K	-226.401452
HF Energy	-226.398357
Nuclear repulsion energy	74.512481

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3395	3348	2.08
2	A	1261	1243	21.54
3	A	815	804	7.83
4	A	460	454	131.84
5	A	369	364	74.89
6	B	3391	3345	18.95
7	B	1266	1248	39.63
8	B	634	626	129.53
9	B	431	425	105.23

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.638
O2	0.000	1.224	-0.259
O3	0.000	-1.224	-0.259
H4	-0.974	1.295	-0.475
H5	0.974	-1.295	-0.475

	O1	O2	O3	H4	H5
O1		1.5179	1.5179	1.9658	1.9658
O2	1.5179		2.4488	1.0004	2.7095
O3	1.5179	2.4488		2.7095	1.0004
H4	1.9658	1.0004	2.7095		3.2406
H5	1.9658	2.7095	1.0004	3.2406

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	100.613		O1	O3	H5	100.613
O2	O1	O3	107.538

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

using model chemistry: PBEPBE/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	-0.090
2	O	-0.342
3	O	-0.342
4	H	0.387
5	H	0.387

	x	y	z	Total
	0.000	0.000	-1.120	1.120
CHELPG
AIM
ESP

	x	y	z
x	1.866	-0.560	0.000
y	-0.560	3.819	0.000
z	0.000	0.000	1.563

<r²>	44.001
(<r²>)^1/2	6.633

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

using model chemistry: PBEPBE/6-31G

States and conformations

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