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	hartrees
Energy at 0K	-226.718110
Energy at 298.15K
HF Energy	-226.718110
Nuclear repulsion energy	79.608997

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.591
O2	0.000	1.140	-0.239
O3	0.000	-1.140	-0.239
H4	-0.938	1.237	-0.453
H5	0.938	-1.237	-0.453

	O1	O2	O3	H4	H5
O1		1.4108	1.4108	1.8714	1.8714
O2	1.4108		2.2809	0.9672	2.5650
O3	1.4108	2.2809		2.5650	0.9672
H4	1.8714	0.9672	2.5650		3.1054
H5	1.8714	2.5650	0.9672	3.1054

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	102.192		O1	O3	H5	102.192
O2	O1	O3	107.869

Number	Element	Mulliken
1	O	-0.048
2	O	-0.259
3	O	-0.259
4	H	0.283
5	H	0.283

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

using model chemistry: mPW1PW91/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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	x	y	z
x	2.051	-0.383	0.000
y	-0.383	3.475	0.000
z	0.000	0.000	1.996

<r²>	39.794
(<r²>)^1/2	6.308

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

using model chemistry: mPW1PW91/TZVP

States and conformations

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