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	hartrees
Energy at 0K	-226.784165
Energy at 298.15K
HF Energy	-226.784165
Nuclear repulsion energy	78.528418

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.600
O2	0.000	1.158	-0.243
O3	0.000	-1.158	-0.243
H4	-0.944	1.250	-0.456
H5	0.944	-1.250	-0.456

	O1	O2	O3	H4	H5
O1		1.4326	1.4326	1.8890	1.8890
O2	1.4326		2.3165	0.9718	2.5950
O3	1.4326	2.3165		2.5950	0.9718
H4	1.8890	0.9718	2.5950		3.1319
H5	1.8890	2.5950	0.9718	3.1319

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.846		O1	O3	H5	101.846
O2	O1	O3	107.904

Number	Element	Mulliken
1	O	-0.055
2	O	-0.255
3	O	-0.255
4	H	0.282
5	H	0.282

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

using model chemistry: B3LYP/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	2.105	-0.405	0.000
y	-0.405	3.680	0.000
z	0.000	0.000	2.061

<r²>	40.751
(<r²>)^1/2	6.384

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

using model chemistry: B3LYP/TZVP

States and conformations

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