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	hartrees
Energy at 0K	-226.467057
Energy at 298.15K
HF Energy	-226.467057
Nuclear repulsion energy	79.830121

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
O2	0.000	1.135	-0.236
O3	0.000	-1.135	-0.236
H4	-0.940	1.201	-0.482
H5	0.940	-1.201	-0.482

	O1	O2	O3	H4	H5
O1		1.4064	1.4064	1.8665	1.8665
O2	1.4064		2.2706	0.9735	2.5304
O3	1.4064	2.2706		2.5304	0.9735
H4	1.8665	0.9735	2.5304		3.0501
H5	1.8665	2.5304	0.9735	3.0501

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.759		O1	O3	H5	101.759
O2	O1	O3	107.655

Number	Element	Mulliken
1	O	-0.088
2	O	-0.138
3	O	-0.138
4	H	0.182
5	H	0.182

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

using model chemistry: PBE1PBE/cc-pVDZ

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	1.751	-0.440	0.000
y	-0.440	3.097	0.000
z	0.000	0.000	1.605

<r²>	39.223
(<r²>)^1/2	6.263

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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