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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	-16.157717
Energy at 298.15K	-16.158622
HF Energy	-15.991226
Nuclear repulsion energy	3.214378

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	313	303	0.00
2	Σ_u	627	605	89.74
3	Π_u	37	36	79.67
3	Π_u	37	36	79.67

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.058
Na3	0.000	0.000	-2.058

	O1	Na2	Na3
O1		2.0579	2.0579
Na2	2.0579		4.1157
Na3	2.0579	4.1157

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

using model chemistry: MP2/CEP-31G

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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	O1	Na2	Na3
O1		2.0576	2.0576
Na2	2.0576		4.1152
Na3	2.0576	4.1152

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

using model chemistry: MP2/CEP-31G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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