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	hartrees
Energy at 0K	-226.742884
Energy at 298.15K
HF Energy	-226.742884
Nuclear repulsion energy	76.780675

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.613
O2	0.000	1.190	-0.248
O3	0.000	-1.190	-0.248
H4	-0.954	1.255	-0.467
H5	0.954	-1.255	-0.467

	O1	O2	O3	H4	H5
O1		1.4689	1.4689	1.9112	1.9112
O2	1.4689		2.3805	0.9813	2.6340
O3	1.4689	2.3805		2.6340	0.9813
H4	1.9112	0.9813	2.6340		3.1532
H5	1.9112	2.6340	0.9813	3.1532

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	100.633		O1	O3	H5	100.633
O2	O1	O3	108.253

Number	Element	Mulliken
1	O	-0.080
2	O	-0.223
3	O	-0.223
4	H	0.263
5	H	0.263

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

using model chemistry: BLYP/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	2.022	-0.538	0.000
y	-0.538	3.786	0.000
z	0.000	0.000	1.836

<r²>	42.039
(<r²>)^1/2	6.484

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

using model chemistry: BLYP/6-311G**

States and conformations

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