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	hartrees
Energy at 0K	-225.440854
Energy at 298.15K
HF Energy	-225.440854
Nuclear repulsion energy	75.457765

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.654
O2	0.000	1.194	-0.259
O3	0.000	-1.194	-0.259
H4	-0.965	1.184	-0.542
H5	0.965	-1.184	-0.542

	O1	O2	O3	H4	H5
O1		1.5036	1.5036	1.9404	1.9404
O2	1.5036		2.3888	1.0060	2.5824
O3	1.5036	2.3888		2.5824	1.0060
H4	1.9404	1.0060	2.5824		3.0553
H5	1.9404	2.5824	1.0060	3.0553

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.367		O1	O3	H5	99.367
O2	O1	O3	105.194

Number	Element	Mulliken
1	O	-0.064
2	O	-0.334
3	O	-0.334
4	H	0.366
5	H	0.366

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

using model chemistry: B3LYP/3-21G*

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	1.653	-0.509	0.000
y	-0.509	3.101	0.000
z	0.000	0.000	1.369

<r²>	42.224
(<r²>)^1/2	6.498

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

using model chemistry: B3LYP/3-21G*

States and conformations

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