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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	-16.337715
Energy at 298.15K	-16.338854
HF Energy	-16.337715
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	338	338	0.00
2	Σ_u	690	690	139.12
3	Π_u	83	83	116.68
3	Π_u	83	83	116.68

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.012
Na3	0.000	0.000	-2.012

	O1	Na2	Na3
O1		2.0122	2.0122
Na2	2.0122		4.0244
Na3	2.0122	4.0244

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

using model chemistry: wB97X-D/CEP-31G

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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Number	Element	Mulliken
1	O	-1.047
2	Na	0.523
3	Na	0.523

<r²>	10.611
(<r²>)^1/2	3.257

	O1	Na2	Na3
O1		2.0113	2.0113
Na2	2.0113		4.0226
Na3	2.0113	4.0226

Number	Element	Mulliken
1	O	-1.047
2	Na	0.523
3	Na	0.523

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

using model chemistry: wB97X-D/CEP-31G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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