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	hartrees
Energy at 0K	-75.305399
Energy at 298.15K
Nuclear repulsion energy	8.630582

Atom	y (Å)	z (Å)
O1	0.000	0.135
H2	0.767	-0.540
H3	-0.767	-0.540

	O1	H2	H3
O1		1.0219	1.0219
H2	1.0219		1.5336
H3	1.0219	1.5336

Number	Element	Mulliken
1	O	-0.310
2	H	0.155
3	H	0.155

	x	y	z	Total
	0.000	0.000	-1.629	1.629
CHELPG
AIM
ESP

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

using model chemistry: B1B95/STO-3G

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>	5.235
(<r²>)^1/2	2.288

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

using model chemistry: B1B95/STO-3G

States and conformations

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