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	hartrees
Energy at 0K	-226.653849
Energy at 298.15K
HF Energy	-226.653849
Nuclear repulsion energy	79.476415

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.595
O2	0.000	1.142	-0.238
O3	0.000	-1.142	-0.238
H4	-0.934	1.225	-0.481
H5	0.934	-1.225	-0.481

	O1	O2	O3	H4	H5
O1		1.4135	1.4135	1.8793	1.8793
O2	1.4135		2.2838	0.9691	2.5562
O3	1.4135	2.2838		2.5562	0.9691
H4	1.8793	0.9691	2.5562		3.0812
H5	1.8793	2.5562	0.9691	3.0812

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	102.536		O1	O3	H5	102.536
O2	O1	O3	107.780

Number	Element	Mulliken
1	O	-0.060
2	O	-0.384
3	O	-0.384
4	H	0.414
5	H	0.414

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

using model chemistry: B3PW91/6-311G*

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	1.816	-0.443	0.000
y	-0.443	3.204	0.000
z	0.000	0.000	1.665

<r²>	39.755
(<r²>)^1/2	6.305

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

using model chemistry: B3PW91/6-311G*

States and conformations

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