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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	-398.924438
Energy at 298.15K	-398.925660
HF Energy	-398.536528
Nuclear repulsion energy	63.243013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	380	355	0.00
2	Σ_u	723	675	177.96
3	Π_u	88	82	173.45
3	Π_u	88	82	173.45

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.979
Na3	0.000	0.000	-1.979

	O1	Na2	Na3
O1		1.9789	1.9789
Na2	1.9789		3.9578
Na3	1.9789	3.9578

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

using model chemistry: MP3=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		1.9787	1.9787
Na2	1.9787		3.9575
Na3	1.9787	3.9575

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

using model chemistry: MP3=FULL/TZVP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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