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	hartrees
Energy at 0K	-226.708647
Energy at 298.15K	-226.712010
HF Energy	-226.708647
Nuclear repulsion energy	79.951022

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3797	3630	4.06
2	A	1426	1363	31.66
3	A	1005	961	3.88
4	A	563	538	27.13
5	A	376	360	126.64
6	B	3793	3626	61.92
7	B	1434	1371	49.46
8	B	904	864	75.77
9	B	434	415	104.11

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.594
O2	0.000	1.122	-0.244
O3	0.000	-1.122	-0.244
H4	-0.949	1.186	-0.423
H5	0.949	-1.186	-0.423

	O1	O2	O3	H4	H5
O1		1.4007	1.4007	1.8280	1.8280
O2	1.4007		2.2442	0.9676	2.5021
O3	1.4007	2.2442		2.5021	0.9676
H4	1.8280	0.9676	2.5021		3.0380
H5	1.8280	2.5021	0.9676	3.0380

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.417		O1	O3	H5	99.417
O2	O1	O3	106.472

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

using model chemistry: wB97X-D/cc-pVTZ

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	-0.048
2	O	-0.193
3	O	-0.193
4	H	0.217
5	H	0.217

	x	y	z	Total
	0.000	0.000	-1.028	1.028
CHELPG
AIM
ESP

	x	y	z
x	2.136	-0.371	0.000
y	-0.371	3.498	0.000
z	0.000	0.000	2.056

<r²>	39.315
(<r²>)^1/2	6.270

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

using model chemistry: wB97X-D/cc-pVTZ

States and conformations

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