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	hartrees
Energy at 0K	-226.212695
Energy at 298.15K
HF Energy	-225.579193
Nuclear repulsion energy	78.794113

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.611
O2	0.000	1.146	-0.246
O3	0.000	-1.146	-0.246
H4	-0.943	1.213	-0.472
H5	0.943	-1.213	-0.472

	O1	O2	O3	H4	H5
O1		1.4316	1.4316	1.8798	1.8798
O2	1.4316		2.2927	0.9719	2.5508
O3	1.4316	2.2927		2.5508	0.9719
H4	1.8798	0.9719	2.5508		3.0728
H5	1.8798	2.5508	0.9719	3.0728

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.182		O1	O3	H5	101.182
O2	O1	O3	106.403

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

using model chemistry: CCSD/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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All results from a given calculation for H2O3 (Hydrogen trioxide)

using model chemistry: CCSD/aug-cc-pVDZ

States and conformations

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