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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	D*H	¹Σ_g
1	2	no	C2V	¹A₁

	hartrees
Energy at 0K	-398.504399
Energy at 298.15K	-398.505685
HF Energy	-398.504399
Nuclear repulsion energy	63.528127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	391	354	0.00
2	Σ_u	744	673	194.89
3	Π_u	101	91	166.23
3	Π_u	101	91	166.23

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.970
Na3	0.000	0.000	-1.970

	O1	Na2	Na3
O1		1.9700	1.9700
Na2	1.9700		3.9400
Na3	1.9700	3.9400

All results from a given calculation for Na₂O (disodium monoxide)

using model chemistry: HF/6-31G(2df,p)

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	O	-0.880
2	Na	0.440
3	Na	0.440

<r²>	89.693
(<r²>)^1/2	9.471

	O1	Na2	Na3
O1		1.9689	1.9689
Na2	1.9689		3.9378
Na3	1.9689	3.9378

Number	Element	Mulliken
1	O	-0.880
2	Na	0.440
3	Na	0.440

All results from a given calculation for Na2O (disodium monoxide)

using model chemistry: HF/6-31G(2df,p)

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

All results from a given calculation for Na₂O (disodium monoxide)