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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	-75.582759
Energy at 298.15K	-75.583867
HF Energy	-75.582759
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	358	358	0.00
2	Σ_u	707	707	105.85
3	Π_u	67	67	111.50
3	Π_u	67	67	111.50

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.996
Na3	0.000	0.000	-1.996

	O1	Na2	Na3
O1		1.9960	1.9960
Na2	1.9960		3.9919
Na3	1.9960	3.9919

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

using model chemistry: wB97X-D/LANL2DZ

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	-1.016
2	Na	0.508
3	Na	0.508

<r²>	10.546
(<r²>)^1/2	3.247

	O1	Na2	Na3
O1		1.9958	1.9958
Na2	1.9958		3.9916
Na3	1.9958	3.9916

Number	Element	Mulliken
1	O	-1.016
2	Na	0.508
3	Na	0.508

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

using model chemistry: wB97X-D/LANL2DZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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