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	hartrees
Energy at 0K	-75.949471
Energy at 298.15K	-75.947324
Nuclear repulsion energy	8.868934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	2497	2395	3.82
2	A₁	1242	1192	23.17
3	B₂	2651	2544	0.04

Atom	y (Å)	z (Å)
O1	0.000	0.122
H2	0.784	-0.487
H3	-0.784	-0.487

	O1	H2	H3
O1		0.9924	0.9924
H2	0.9924		1.5682
H3	0.9924	1.5682

Number	Element	Mulliken
1	O	-0.665
2	H	0.332
3	H	0.332

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

using model chemistry: B3PW91/3-21G*

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>	5.325
(<r²>)^1/2	2.308

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

using model chemistry: B3PW91/3-21G*

States and conformations

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