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	hartrees
Energy at 0K	-75.606430
Energy at 298.15K	-75.604278
Nuclear repulsion energy	8.776356

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2413	2369	6.89
2	A₁	1192	1171	19.69
3	B₂	2577	2531	0.00

Atom	y (Å)	z (Å)
O1	0.000	0.124
H2	0.790	-0.495
H3	-0.790	-0.495

	O1	H2	H3
O1		1.0030	1.0030
H2	1.0030		1.5791
H3	1.0030	1.5791

Number	Element	Mulliken
1	O	-0.653
2	H	0.326
3	H	0.326

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

using model chemistry: LSDA/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>	5.391
(<r²>)^1/2	2.322

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

using model chemistry: LSDA/3-21G*

States and conformations

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