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	hartrees
Energy at 0K	-226.487797
Energy at 298.15K	-226.491043
HF Energy	-226.487797
Nuclear repulsion energy	78.256572

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3592	3555	1.48
2	A	1348	1335	26.11
3	A	910	900	4.02
4	A	517	511	32.74
5	A	377	373	93.94
6	B	3586	3549	28.29
7	B	1355	1341	40.11
8	B	702	695	103.29
9	B	455	450	96.61

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.603
O2	0.000	1.163	-0.241
O3	0.000	-1.163	-0.241
H4	-0.949	1.223	-0.481
H5	0.949	-1.223	-0.481

	O1	O2	O3	H4	H5
O1		1.4373	1.4373	1.8896	1.8896
O2	1.4373		2.3260	0.9806	2.5787
O3	1.4373	2.3260		2.5787	0.9806
H4	1.8896	0.9806	2.5787		3.0956
H5	1.8896	2.5787	0.9806	3.0956

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.114		O1	O3	H5	101.114
O2	O1	O3	108.031

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	-0.098
2	O	-0.263
3	O	-0.263
4	H	0.311
5	H	0.311

	x	y	z	Total
	0.000	0.000	-1.026	1.026
CHELPG
AIM
ESP

	x	y	z
x	2.211	-0.469	0.000
y	-0.469	3.610	0.000
z	0.000	0.000	2.003

<r²>	40.455
(<r²>)^1/2	6.360

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

using model chemistry: PBEPBE/6-31G(2df,p)

States and conformations

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