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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	-398.863134
Energy at 298.15K	-398.864266
HF Energy	-398.553624
Nuclear repulsion energy	63.356912

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	368	343	0.00
2	Σ_u	646	603	181.92
3	Π_u	76	70	168.13
3	Π_u	76	70	168.13

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.975
Na3	0.000	0.000	-1.975

	O1	Na2	Na3
O1		1.9753	1.9753
Na2	1.9753		3.9506
Na3	1.9753	3.9506

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

using model chemistry: MP3=FULL/cc-pVTZ

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		1.9755	1.9755
Na2	1.9755		3.9510
Na3	1.9755	3.9510

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

using model chemistry: MP3=FULL/cc-pVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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