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	hartrees
Energy at 0K	-226.677347
Energy at 298.15K	-226.680564
HF Energy	-226.677347
Nuclear repulsion energy	77.889842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3623	3567	1.52
2	A	1338	1318	27.22
3	A	886	873	2.47
4	A	502	494	29.80
5	A	384	378	106.63
6	B	3618	3563	42.37
7	B	1346	1326	40.05
8	B	660	650	136.00
9	B	445	438	79.06

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
O2	0.000	1.172	-0.244
O3	0.000	-1.172	-0.244
H4	-0.948	1.258	-0.452
H5	0.948	-1.258	-0.452

	O1	O2	O3	H4	H5
O1		1.4448	1.4448	1.8948	1.8948
O2	1.4448		2.3440	0.9746	2.6166
O3	1.4448	2.3440		2.6166	0.9746
H4	1.8948	0.9746	2.6166		3.1504
H5	1.8948	2.6166	0.9746	3.1504

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.322		O1	O3	H5	101.322
O2	O1	O3	108.420

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

using model chemistry: B97D3/aug-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	-0.080
2	O	-0.194
3	O	-0.194
4	H	0.233
5	H	0.233

	x	y	z	Total
	0.000	0.000	-0.890	0.890
CHELPG
AIM
ESP

	x	y	z
x	2.853	-0.419	0.000
y	-0.419	4.661	0.000
z	0.000	0.000	2.937

<r²>	41.334
(<r²>)^1/2	6.429

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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