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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	-399.474434
Energy at 298.15K	-399.475501
HF Energy	-398.558345
Nuclear repulsion energy	63.084451

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	364	364	0.00
2	Σ_u	690	690	130.83
3	Π_u	53	53	127.01
3	Π_u	53	53	127.01

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.984
Na3	0.000	0.000	-1.984

	O1	Na2	Na3
O1		1.9839	1.9839
Na2	1.9839		3.9677
Na3	1.9839	3.9677

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

using model chemistry: CCSD=FULL/cc-pCVTZ

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		1.9838	1.9838
Na2	1.9838		3.9676
Na3	1.9838	3.9676

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

using model chemistry: CCSD=FULL/cc-pCVTZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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