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	hartrees
Energy at 0K	-16.851326
Energy at 298.15K
Nuclear repulsion energy	7.023125

Atom	y (Å)	z (Å)
O1	0.000	0.143
H2	0.759	-0.430
H3	-0.759	-0.430

	O1	H2	H3
O1		0.9514	0.9514
H2	0.9514		1.5181
H3	0.9514	1.5181

Number	Element	Mulliken
1	O	-0.816
2	H	0.408
3	H	0.408

	x	y	z	Total
	0.000	0.000	-2.295	2.295
CHELPG
AIM
ESP

All results from a given calculation for D₂O (Deuterium oxide)

using model chemistry: HF/CEP-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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<r²>	5.380
(<r²>)^1/2	2.320

All results from a given calculation for D2O (Deuterium oxide)

using model chemistry: HF/CEP-31G*

States and conformations

All results from a given calculation for D₂O (Deuterium oxide)