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	hartrees
Energy at 0K	-76.378604
Energy at 298.15K
Nuclear repulsion energy	9.135795

Atom	y (Å)	z (Å)
O1	0.000	0.119
H2	0.759	-0.475
H3	-0.759	-0.475

	O1	H2	H3
O1		0.9636	0.9636
H2	0.9636		1.5177
H3	0.9636	1.5177

Number	Element	Mulliken
1	O	-0.796
2	H	0.398
3	H	0.398

	x	y	z	Total
	0.000	0.000	-2.121	2.121
CHELPG
AIM
ESP

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

using model chemistry: B1B95/6-31G*

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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<r²>	5.332
(<r²>)^1/2	2.309

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

using model chemistry: B1B95/6-31G*

States and conformations

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