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	hartrees
Energy at 0K	-226.466145
Energy at 298.15K
HF Energy	-226.466145
Nuclear repulsion energy	79.691211

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
O2	0.000	1.137	-0.239
O3	0.000	-1.137	-0.239
H4	-0.940	1.231	-0.462
H5	0.940	-1.231	-0.462

	O1	O2	O3	H4	H5
O1		1.4089	1.4089	1.8739	1.8739
O2	1.4089		2.2742	0.9706	2.5573
O3	1.4089	2.2742		2.5573	0.9706
H4	1.8739	0.9706	2.5573		3.0970
H5	1.8739	2.5573	0.9706	3.0970

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	102.339		O1	O3	H5	102.339
O2	O1	O3	107.626

Number	Element	Mulliken
1	O	0.003
2	O	-0.366
3	O	-0.366
4	H	0.365
5	H	0.365

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

using model chemistry: PBE1PBE/6-31+G**

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	2.209	-0.323	0.000
y	-0.323	3.739	0.000
z	0.000	0.000	2.316

<r²>	39.790
(<r²>)^1/2	6.308

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

using model chemistry: PBE1PBE/6-31+G**

States and conformations

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