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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	-398.959272
Energy at 298.15K
HF Energy	-398.535395
Nuclear repulsion energy	61.774921

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	335	319	0.00
2	Σ_u	640	610	98.97
3	Π_u	4i	4i	82.19
3	Π_u	4i	4i	82.19

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.026
Na3	0.000	0.000	-2.026

	O1	Na2	Na3
O1		2.0259	2.0259
Na2	2.0259		4.0518
Na3	2.0259	4.0518

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

using model chemistry: MP2=FULL/TZVP

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		2.0261	2.0261
Na2	2.0261		4.0469
Na3	2.0261	4.0469

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

using model chemistry: MP2=FULL/TZVP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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