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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	-399.044125
Energy at 298.15K	-399.045837
HF Energy	-398.527912
Nuclear repulsion energy	71.811282

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	Σ_g	731	700
2	Σ_u	1454	1393
3	Π_u	125	119
3	Π_u	125	119

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.743
Na3	0.000	0.000	-1.743

	O1	Na2	Na3
O1		1.7426	1.7426
Na2	1.7426		3.4852
Na3	1.7426	3.4852

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

using model chemistry: CCSD(T)=FULL/aug-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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All results from a given calculation for Na2O (disodium monoxide)

using model chemistry: CCSD(T)=FULL/aug-cc-pVQZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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