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	hartrees
Energy at 0K	-76.027053
Energy at 298.15K
Nuclear repulsion energy	9.301679

Atom	y (Å)	z (Å)
O1	0.000	0.116
H2	0.749	-0.463
H3	-0.749	-0.463

	O1	H2	H3
O1		0.9462	0.9462
H2	0.9462		1.4975
H3	0.9462	1.4975

Number	Element	Mulliken
1	O	-0.292
2	H	0.146
3	H	0.146

	x	y	z	Total
	0.000	0.000	-2.044	2.044
CHELPG
AIM
ESP

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

using model chemistry: HF/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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<r²>	5.203
(<r²>)^1/2	2.281

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

using model chemistry: HF/cc-pVDZ

States and conformations

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