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	hartrees
Energy at 0K	-76.416888
Energy at 298.15K
Nuclear repulsion energy	9.184098

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.754	-0.474
H3	-0.754	-0.474

	O1	H2	H3
O1		0.9585	0.9585
H2	0.9585		1.5076
H3	0.9585	1.5076

Number	Element	Mulliken
1	O	-0.480
2	H	0.240
3	H	0.240

	x	y	z	Total
	0.000	0.000	-2.077	2.077
CHELPG
AIM
ESP

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

using model chemistry: B1B95/6-311G*

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>	5.334
(<r²>)^1/2	2.310

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

using model chemistry: B1B95/6-311G*

States and conformations

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