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	hartrees
Energy at 0K	-224.358643
Energy at 298.15K
HF Energy	-224.358643
Nuclear repulsion energy	75.847437

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.644
O2	0.000	1.189	-0.255
O3	0.000	-1.189	-0.255
H4	-0.976	1.180	-0.538
H5	0.976	-1.180	-0.538

	O1	O2	O3	H4	H5
O1		1.4905	1.4905	1.9343	1.9343
O2	1.4905		2.3785	1.0166	2.5779
O3	1.4905	2.3785		2.5779	1.0166
H4	1.9343	1.0166	2.5779		3.0626
H5	1.9343	2.5779	1.0166	3.0626

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O1	O2	H4	99.237		O1	O3	H5	99.237
O2	O1	O3	105.861

Number	Element	Mulliken
1	O	-0.072
2	O	-0.333
3	O	-0.333
4	H	0.369
5	H	0.369

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

using model chemistry: LSDA/3-21G

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	1.729	-0.553	0.000
y	-0.553	3.140	0.000
z	0.000	0.000	1.310

<r²>	41.914
(<r²>)^1/2	6.474

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

using model chemistry: LSDA/3-21G

States and conformations

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