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	hartrees
Energy at 0K	-75.886478
Energy at 298.15K	-75.884329
Nuclear repulsion energy	8.736093

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2374	2264	9.27
2	A₁	1221	1165	15.95
3	B₂	2523	2406	1.11

Atom	y (Å)	z (Å)
O1	0.000	0.126
H2	0.786	-0.504
H3	-0.786	-0.504

	O1	H2	H3
O1		1.0080	1.0080
H2	1.0080		1.5730
H3	1.0080	1.5730

Number	Element	Mulliken
1	O	-0.625
2	H	0.313
3	H	0.313

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

using model chemistry: PBEPBE/3-21G*

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>	5.422
(<r²>)^1/2	2.329

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

using model chemistry: PBEPBE/3-21G*

States and conformations

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