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	hartrees
Energy at 0K	-225.336467
Energy at 298.15K	-225.339755
HF Energy	-225.336467
Nuclear repulsion energy	76.481525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3485	3301	3.94
2	A	1373	1300	31.26
3	A	1017	964	9.35
4	A	528	500	100.42
5	A	365	346	94.87
6	B	3480	3296	24.19
7	B	1366	1294	49.13
8	B	1020	966	26.36
9	B	386	365	160.97

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.655
O2	0.000	1.171	-0.257
O3	0.000	-1.171	-0.257
H4	-0.953	1.155	-0.562
H5	0.953	-1.155	-0.562

	O1	O2	O3	H4	H5
O1		1.4838	1.4838	1.9293	1.9293
O2	1.4838		2.3413	1.0010	2.5319
O3	1.4838	2.3413		2.5319	1.0010
H4	1.9293	1.0010	2.5319		2.9954
H5	1.9293	2.5319	1.0010	2.9954

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	100.053		O1	O3	H5	100.053
O2	O1	O3	104.168

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

using model chemistry: M06-2X/3-21G*

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	-0.067
2	O	-0.353
3	O	-0.353
4	H	0.386
5	H	0.386

	x	y	z	Total
	0.000	0.000	-1.458	1.458
CHELPG
AIM
ESP

	x	y	z
x	1.553	-0.437	0.000
y	-0.437	2.878	0.000
z	0.000	0.000	1.392

<r²>	41.282
(<r²>)^1/2	6.425

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

using model chemistry: M06-2X/3-21G*

States and conformations

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