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	hartrees
Energy at 0K	-226.489495
Energy at 298.15K	-226.492697
HF Energy	-226.489495
Nuclear repulsion energy	77.645449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3596	3555	2.69
2	A	1313	1298	26.21
3	A	893	883	3.18
4	A	499	494	40.78
5	A	381	377	125.70
6	B	3590	3549	52.20
7	B	1325	1310	34.42
8	B	667	660	159.44
9	B	446	441	93.11

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.604
O2	0.000	1.173	-0.245
O3	0.000	-1.173	-0.245
H4	-0.958	1.262	-0.453
H5	0.958	-1.262	-0.453

	O1	O2	O3	H4	H5
O1		1.4483	1.4483	1.9041	1.9041
O2	1.4483		2.3463	0.9842	2.6246
O3	1.4483	2.3463		2.6246	0.9842
H4	1.9041	0.9842	2.6246		3.1682
H5	1.9041	2.6246	0.9842	3.1682

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.315		O1	O3	H5	101.315
O2	O1	O3	108.198

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

using model chemistry: PBEPBE/6-31+G**

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	-0.013
2	O	-0.346
3	O	-0.346
4	H	0.352
5	H	0.352

	x	y	z	Total
	0.000	0.000	-0.981	0.981
CHELPG
AIM
ESP

	x	y	z
x	2.402	-0.367	0.000
y	-0.367	4.291	0.000
z	0.000	0.000	2.515

<r²>	41.618
(<r²>)^1/2	6.451

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

using model chemistry: PBEPBE/6-31+G**

States and conformations

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