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	hartrees
Energy at 0K	-226.398035
Energy at 298.15K
HF Energy	-225.637878
Nuclear repulsion energy	79.382099

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.601
O2	0.000	1.141	-0.242
O3	0.000	-1.141	-0.242
H4	-0.937	1.214	-0.469
H5	0.937	-1.214	-0.469

	O1	O2	O3	H4	H5
O1		1.4185	1.4185	1.8705	1.8705
O2	1.4185		2.2811	0.9668	2.5445
O3	1.4185	2.2811		2.5445	0.9668
H4	1.8705	0.9668	2.5445		3.0673
H5	1.8705	2.5445	0.9668	3.0673

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.609		O1	O3	H5	101.609
O2	O1	O3	107.035

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

using model chemistry: QCISD/aug-cc-pVTZ

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/aug-cc-pVTZ

States and conformations

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