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	hartrees
Energy at 0K	-225.650489
Energy at 298.15K	-225.653953
HF Energy	-225.650489
Nuclear repulsion energy	82.208211

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4100	3716	8.12
2	A	1573	1426	35.67
3	A	1137	1030	2.79
4	A	631	572	29.01
5	A	385	349	155.34
6	B	4097	3713	117.79
7	B	1582	1434	54.28
8	B	1170	1060	37.19
9	B	418	379	117.73

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.585
O2	0.000	1.091	-0.245
O3	0.000	-1.091	-0.245
H4	-0.933	1.218	-0.375
H5	0.933	-1.218	-0.375

	O1	O2	O3	H4	H5
O1		1.3706	1.3706	1.8095	1.8095
O2	1.3706		2.1815	0.9504	2.4932
O3	1.3706	2.1815		2.4932	0.9504
H4	1.8095	0.9504	2.4932		3.0679
H5	1.8095	2.4932	0.9504	3.0679

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	100.893		O1	O3	H5	100.893
O2	O1	O3	105.467

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

using model chemistry: HF/Def2TZVPP

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	-0.015
2	O	-0.224
3	O	-0.224
4	H	0.232
5	H	0.232

	x	y	z	Total
	0.000	0.000	-1.106	1.106
CHELPG
AIM
ESP

	x	y	z
x	1.988	-0.313	0.000
y	-0.313	3.293	0.000
z	0.000	0.000	2.020

<r²>	37.768
(<r²>)^1/2	6.146

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

using model chemistry: HF/Def2TZVPP

States and conformations

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