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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	-398.795876
Energy at 298.15K	-398.797129
HF Energy	-398.504350
Nuclear repulsion energy	63.869776

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	390	390	0.00
2	Σ_u	724	724	185.10
3	Π_u	94	94	155.38
3	Π_u	94	94	155.38

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.959
Na3	0.000	0.000	-1.959

	O1	Na2	Na3
O1		1.9595	1.9595
Na2	1.9595		3.9189
Na3	1.9595	3.9189

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

using model chemistry: MP3=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		1.9599	1.9599
Na2	1.9599		3.9199
Na3	1.9599	3.9199

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

using model chemistry: MP3=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)