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	hartrees
Energy at 0K	-226.144300
Energy at 298.15K
HF Energy	-225.557838
Nuclear repulsion energy	79.430715

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.606
O2	0.000	1.137	-0.242
O3	0.000	-1.137	-0.242
H4	-0.938	1.187	-0.490
H5	0.938	-1.187	-0.490

	O1	O2	O3	H4	H5
O1		1.4184	1.4184	1.8685	1.8685
O2	1.4184		2.2743	0.9714	2.5188
O3	1.4184	2.2743		2.5188	0.9714
H4	1.8685	0.9714	2.5188		3.0260
H5	1.8685	2.5188	0.9714	3.0260

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.211		O1	O3	H5	101.211
O2	O1	O3	106.591

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

using model chemistry: CCD/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: CCD/cc-pVDZ

States and conformations

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