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	hartrees
Energy at 0K	-226.630454
Energy at 298.15K
HF Energy	-226.630454
Nuclear repulsion energy	80.145565

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
O2	0.000	1.130	-0.236
O3	0.000	-1.130	-0.236
H4	-0.930	1.195	-0.488
H5	0.930	-1.195	-0.488

	O1	O2	O3	H4	H5
O1		1.4022	1.4022	1.8614	1.8614
O2	1.4022		2.2596	0.9660	2.5165
O3	1.4022	2.2596		2.5165	0.9660
H4	1.8614	0.9660	2.5165		3.0286
H5	1.8614	2.5165	0.9660	3.0286

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	102.048		O1	O3	H5	102.048
O2	O1	O3	107.361

Number	Element	Mulliken
1	O	-0.106
2	O	-0.276
3	O	-0.276
4	H	0.329
5	H	0.329

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

using model chemistry: B1B95/6-31G(2df,p)

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	2.067	-0.395	0.000
y	-0.395	3.276	0.000
z	0.000	0.000	1.942

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

using model chemistry: B1B95/6-31G(2df,p)

States and conformations

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