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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	-398.954899
Energy at 298.15K	-398.956187
HF Energy	-398.561065
Nuclear repulsion energy	64.645960

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	396	379	0.00
2	Σ_u	858	821	94.47
3	Π_u	89	85	121.85
3	Π_u	89	85	121.85

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.936
Na3	0.000	0.000	-1.936

	O1	Na2	Na3
O1		1.9359	1.9359
Na2	1.9359		3.8719
Na3	1.9359	3.8719

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

using model chemistry: MP2=FULL/cc-pVQZ

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		1.9360	1.9360
Na2	1.9360		3.8720
Na3	1.9360	3.8720

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

using model chemistry: MP2=FULL/cc-pVQZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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