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	hartrees
Energy at 0K	-76.373378
Energy at 298.15K
HF Energy	-76.373378
Nuclear repulsion energy	9.116741

Atom	y (Å)	z (Å)
O1	0.000	0.118
H2	0.762	-0.474
H3	-0.762	-0.474

	O1	H2	H3
O1		0.9655	0.9655
H2	0.9655		1.5248
H3	0.9655	1.5248

Number	Element	Mulliken
1	O	-0.813
2	H	0.407
3	H	0.407

	x	y	z	Total
	0.000	0.000	-2.150	2.150
CHELPG
AIM
ESP

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

using model chemistry: M06-2X/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>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: M06-2X/6-31G*

States and conformations

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