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	hartrees
Energy at 0K	-76.056800
Energy at 298.15K
HF Energy	-76.056800
Nuclear repulsion energy	9.338338

Atom	y (Å)	z (Å)
O1	0.000	0.113
H2	0.754	-0.452
H3	-0.754	-0.452

	O1	H2	H3
O1		0.9421	0.9421
H2	0.9421		1.5082
H3	0.9421	1.5082

Number	Element	Mulliken
1	O	-0.556
2	H	0.278
3	H	0.278

	x	y	z	Total
	0.000	0.000	-2.195	2.195
CHELPG
AIM
ESP

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

using model chemistry: HF/TZVP

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>	5.348
(<r²>)^1/2	2.313

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

using model chemistry: HF/TZVP

States and conformations

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