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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	-396.104777
Energy at 298.15K	-396.105985
HF Energy	-396.104777
Nuclear repulsion energy	64.913565

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	420	381	0.00
2	Σ_u	795	720	194.34
3	Π_u	66	60	120.86
3	Π_u	66	60	120.86

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.928
Na3	0.000	0.000	-1.928

	O1	Na2	Na3
O1		1.9280	1.9280
Na2	1.9280		3.8559
Na3	1.9280	3.8559

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

using model chemistry: HF/3-21G

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	-0.872
2	Na	0.436
3	Na	0.436

<r²>	88.014
(<r²>)^1/2	9.382

	O1	Na2	Na3
O1		1.9279	1.9279
Na2	1.9279		3.8558
Na3	1.9279	3.8558

Number	Element	Mulliken
1	O	-0.872
2	Na	0.436
3	Na	0.436

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

using model chemistry: HF/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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