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	hartrees
Energy at 0K	-226.519969
Energy at 298.15K	-226.523203
HF Energy	-226.519969
Nuclear repulsion energy	77.907453

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3578	3556	1.21
2	A	1326	1318	28.25
3	A	895	890	2.21
4	A	503	500	31.81
5	A	390	388	102.21
6	B	3573	3551	41.72
7	B	1334	1326	37.86
8	B	665	661	143.54
9	B	452	450	79.14

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.603
O2	0.000	1.168	-0.245
O3	0.000	-1.168	-0.245
H4	-0.957	1.255	-0.453
H5	0.957	-1.255	-0.453

	O1	O2	O3	H4	H5
O1		1.4432	1.4432	1.8987	1.8987
O2	1.4432		2.3361	0.9835	2.6133
O3	1.4432	2.3361		2.6133	0.9835
H4	1.8987	0.9835	2.6133		3.1565
H5	1.8987	2.6133	0.9835	3.1565

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.271		O1	O3	H5	101.271
O2	O1	O3	108.068

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

using model chemistry: PBEPBE/aug-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	-0.035
2	O	-0.159
3	O	-0.159
4	H	0.177
5	H	0.177

	x	y	z	Total
	0.000	0.000	-0.896	0.896
CHELPG
AIM
ESP

	x	y	z
x	2.853	-0.427	0.000
y	-0.427	4.649	0.000
z	0.000	0.000	2.891

<r²>	41.383
(<r²>)^1/2	6.433

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

using model chemistry: PBEPBE/aug-cc-pVDZ

States and conformations

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