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	hartrees
Energy at 0K	-76.246845
Energy at 298.15K
Nuclear repulsion energy	9.173728

Atom	y (Å)	z (Å)
O1	0.000	0.115
H2	0.767	-0.460
H3	-0.767	-0.460

	O1	H2	H3
O1		0.9590	0.9590
H2	0.9590		1.5350
H3	0.9590	1.5350

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

using model chemistry: QCISD(T)/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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All results from a given calculation for D2O (Deuterium oxide)

using model chemistry: QCISD(T)/6-311G*

States and conformations

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