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	hartrees
Energy at 0K	-226.704100
Energy at 298.15K
HF Energy	-226.704100
Nuclear repulsion energy	79.632561

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.593
O2	0.000	1.139	-0.240
O3	0.000	-1.139	-0.240
H4	-0.938	1.234	-0.455
H5	0.938	-1.234	-0.455

	O1	O2	O3	H4	H5
O1		1.4109	1.4109	1.8705	1.8705
O2	1.4109		2.2784	0.9668	2.5606
O3	1.4109	2.2784		2.5606	0.9668
H4	1.8705	0.9668	2.5606		3.0995
H5	1.8705	2.5606	0.9668	3.0995

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	102.131		O1	O3	H5	102.131
O2	O1	O3	107.683

Number	Element	Mulliken
1	O	-0.049
2	O	-0.262
3	O	-0.262
4	H	0.286
5	H	0.286

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

using model chemistry: B1B95/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	2.053	-0.381	0.000
y	-0.381	3.474	0.000
z	0.000	0.000	2.003

<r²>	39.754
(<r²>)^1/2	6.305

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

using model chemistry: B1B95/TZVP

States and conformations

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