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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	-398.553644
Energy at 298.15K	-398.554873
HF Energy	-398.553644
Nuclear repulsion energy	63.141666

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	378	344	0.00
2	Σ_u	721	656	189.59
3	Π_u	90	82	178.04
3	Π_u	90	82	178.04

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.982
Na3	0.000	0.000	-1.982

	O1	Na2	Na3
O1		1.9821	1.9821
Na2	1.9821		3.9641
Na3	1.9821	3.9641

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

using model chemistry: HF/cc-pVTZ

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	-0.992
2	Na	0.496
3	Na	0.496

<r²>	90.556
(<r²>)^1/2	9.516

	O1	Na2	Na3
O1		1.9819	1.9819
Na2	1.9819		3.9639
Na3	1.9819	3.9639

Number	Element	Mulliken
1	O	-0.992
2	Na	0.496
3	Na	0.496

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

using model chemistry: HF/cc-pVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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