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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	-398.823997
Energy at 298.15K	-398.825035
HF Energy	-398.503873
Nuclear repulsion energy	62.465986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	345	324	0.00
2	Σ_u	642	603	104.91
3	Π_u	59	55	95.98
3	Π_u	59	55	95.98

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.003
Na3	0.000	0.000	-2.003

	O1	Na2	Na3
O1		2.0035	2.0035
Na2	2.0035		4.0070
Na3	2.0035	4.0070

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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		2.0034	2.0034
Na2	2.0034		4.0068
Na3	2.0034	4.0068

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

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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