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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	-398.775645
Energy at 298.15K	-398.776709
HF Energy	-398.536091
Nuclear repulsion energy	62.390289

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	358	341	0.00
2	Σ_u	684	653	109.33
3	Π_u	56	53	113.77
3	Π_u	56	53	113.76

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.006
Na3	0.000	0.000	-2.006

	O1	Na2	Na3
O1		2.0059	2.0059
Na2	2.0059		4.0119
Na3	2.0059	4.0119

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

using model chemistry: CCSD/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		2.0057	2.0057
Na2	2.0057		4.0114
Na3	2.0057	4.0114

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

using model chemistry: CCSD/TZVP

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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