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	hartrees
Energy at 0K	-226.702558
Energy at 298.15K	-226.705839
HF Energy	-226.702558
Nuclear repulsion energy	78.793773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3657	3548	3.29
2	A	1381	1339	25.12
3	A	935	907	4.31
4	A	535	519	36.31
5	A	372	361	113.35
6	B	3652	3542	50.88
7	B	1384	1342	40.66
8	B	794	770	75.71
9	B	429	416	106.67

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.603
O2	0.000	1.152	-0.240
O3	0.000	-1.152	-0.240
H4	-0.943	1.210	-0.490
H5	0.943	-1.210	-0.490

	O1	O2	O3	H4	H5
O1		1.4275	1.4275	1.8831	1.8831
O2	1.4275		2.3043	0.9772	2.5555
O3	1.4275	2.3043		2.5555	0.9772
H4	1.8831	0.9772	2.5555		3.0680
H5	1.8831	2.5555	0.9772	3.0680

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.442		O1	O3	H5	101.442
O2	O1	O3	107.635

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

using model chemistry: B3LYPultrafine/cc-pVDZ

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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Number	Element	Mulliken
1	O	-0.084
2	O	-0.135
3	O	-0.135
4	H	0.177
5	H	0.177

	x	y	z	Total
	0.000	0.000	-1.094	1.094
CHELPG
AIM
ESP

	x	y	z
x	1.793	-0.472	0.000
y	-0.472	3.246	0.000
z	0.000	0.000	1.640

<r²>	40.016
(<r²>)^1/2	6.326

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

using model chemistry: B3LYPultrafine/cc-pVDZ

States and conformations

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