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	hartrees
Energy at 0K	-226.285762
Energy at 298.15K
HF Energy	-225.625556
Nuclear repulsion energy	78.161365

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.611
O2	0.000	1.161	-0.247
O3	0.000	-1.161	-0.247
H4	-0.944	1.226	-0.465
H5	0.944	-1.226	-0.465

	O1	O2	O3	H4	H5
O1		1.4440	1.4440	1.8848	1.8848
O2	1.4440		2.3224	0.9710	2.5762
O3	1.4440	2.3224		2.5762	0.9710
H4	1.8848	0.9710	2.5762		3.0944
H5	1.8848	2.5762	0.9710	3.0944

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	100.782		O1	O3	H5	100.782
O2	O1	O3	107.062

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

using model chemistry: QCISD(T)/TZVP

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

using model chemistry: QCISD(T)/TZVP

States and conformations

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