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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	-397.355773
Energy at 298.15K	-397.356980
HF Energy	-397.355773
Nuclear repulsion energy	64.838753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	404	386	0.00
2	Σ_u	750	716	105.52
3	Π_u	76	72	75.27
3	Π_u	76	72	75.27

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.930
Na3	0.000	0.000	-1.930

	O1	Na2	Na3
O1		1.9302	1.9302
Na2	1.9302		3.8604
Na3	1.9302	3.8604

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

using model chemistry: B1B95/3-21G*

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	-0.539
2	Na	0.270
3	Na	0.270

<r²>	89.114
(<r²>)^1/2	9.440

	O1	Na2	Na3
O1		1.9296	1.9296
Na2	1.9296		3.8593
Na3	1.9296	3.8593

Number	Element	Mulliken
1	O	-0.540
2	Na	0.270
3	Na	0.270

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

using model chemistry: B1B95/3-21G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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