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	hartrees
Energy at 0K	-226.368783
Energy at 298.15K
HF Energy	-226.368783
Nuclear repulsion energy	76.542970

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.628
O2	0.000	1.183	-0.254
O3	0.000	-1.183	-0.254
H4	-0.954	1.268	-0.480
H5	0.954	-1.268	-0.480

	O1	O2	O3	H4	H5
O1		1.4762	1.4762	1.9360	1.9360
O2	1.4762		2.3667	0.9843	2.6403
O3	1.4762	2.3667		2.6403	0.9843
H4	1.9360	0.9843	2.6403		3.1740
H5	1.9360	2.6403	0.9843	3.1740

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	101.921		O1	O3	H5	101.921
O2	O1	O3	106.567

Number	Element	Mulliken
1	O	-0.092
2	O	-0.364
3	O	-0.364
4	H	0.410
5	H	0.410

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

using model chemistry: PBE1PBE/6-31G

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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	x	y	z
x	1.696	-0.487	0.000
y	-0.487	3.415	0.000
z	0.000	0.000	1.538

<r²>	42.105
(<r²>)^1/2	6.489

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

using model chemistry: PBE1PBE/6-31G

States and conformations

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