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	hartrees
Energy at 0K	-76.061298
Energy at 298.15K	-76.059155
HF Energy	-76.061298
Nuclear repulsion energy	9.348678

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2970	2687	10.36
2	A₁	1278	1156	51.18
3	B₂	3096	2801	54.57

Atom	y (Å)	z (Å)
O1	0.000	0.113
H2	0.753	-0.451
H3	-0.753	-0.451

	O1	H2	H3
O1		0.9410	0.9410
H2	0.9410		1.5064
H3	0.9410	1.5064

Number	Element	Mulliken
1	O	-0.391
2	H	0.195
3	H	0.195

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

using model chemistry: HF/daug-cc-pVTZ

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>	5.394
(<r²>)^1/2	2.322

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

using model chemistry: HF/daug-cc-pVTZ

States and conformations

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