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	hartrees
Energy at 0K	-226.667519
Energy at 298.15K	-226.670745
HF Energy	-226.667519
Nuclear repulsion energy	78.162105

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3643	3596	1.94
2	A	1351	1334	27.18
3	A	889	877	2.69
4	A	509	502	31.37
5	A	385	380	108.80
6	B	3638	3591	44.79
7	B	1359	1341	39.66
8	B	659	651	134.11
9	B	451	445	84.37

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
O2	0.000	1.166	-0.243
O3	0.000	-1.166	-0.243
H4	-0.947	1.250	-0.456
H5	0.947	-1.250	-0.456

	O1	O2	O3	H4	H5
O1		1.4397	1.4397	1.8907	1.8907
O2	1.4397		2.3326	0.9738	2.6034
O3	1.4397	2.3326		2.6034	0.9738
H4	1.8907	0.9738	2.6034		3.1351
H5	1.8907	2.6034	0.9738	3.1351

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.794		O1	O3	H5	99.794
O2	O1	O3	108.006

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

using model chemistry: B97D3/6-311+G(3df,2p)

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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Number	Element	Mulliken
1	O	0.009
2	O	-0.225
3	O	-0.225
4	H	0.220
5	H	0.220

	x	y	z	Total
	0.000	0.000	-0.929	0.929
CHELPG
AIM
ESP

	x	y	z
x	2.663	-0.384	0.000
y	-0.384	4.442	0.000
z	0.000	0.000	2.742

<r²>	41.049
(<r²>)^1/2	6.407

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

using model chemistry: B97D3/6-311+G(3df,2p)

States and conformations

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