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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	-397.314451
Energy at 298.15K	-397.315735
HF Energy	-397.314451
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	384	384	0.00
2	Σ_u	729	729	136.86
3	Π_u	104	104	71.01
3	Π_u	104	104	71.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.955
Na3	0.000	0.000	-1.955

	O1	Na2	Na3
O1		1.9546	1.9546
Na2	1.9546		3.9093
Na3	1.9546	3.9093

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

using model chemistry: wB97X-D/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	-0.699
2	Na	0.349
3	Na	0.349

<r²>	91.939
(<r²>)^1/2	9.588

Number	Element	Mulliken
1	O	-0.699
2	Na	0.349
3	Na	0.349

	x	y	z	Total
	0.000	0.000	0.001	0.001
CHELPG
AIM
ESP

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

using model chemistry: wB97X-D/3-21G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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