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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	-398.562837
Energy at 298.15K	-398.564053
HF Energy	-398.562837
Nuclear repulsion energy	63.376799

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	728	662	190.09
3	Π_u	86	78	182.75
3	Π_u	86	78	182.75

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.975
Na3	0.000	0.000	-1.975

	O1	Na2	Na3
O1		1.9747	1.9747
Na2	1.9747		3.9494
Na3	1.9747	3.9494

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

using model chemistry: HF/aug-cc-pVQZ

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	-0.459
2	Na	0.230
3	Na	0.230

<r²>	89.957
(<r²>)^1/2	9.485

	O1	Na2	Na3
O1		1.9743	1.9743
Na2	1.9743		3.9486
Na3	1.9743	3.9486

Number	Element	Mulliken
1	O	-0.458
2	Na	0.229
3	Na	0.229

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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