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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	-398.740101
Energy at 298.15K	-398.741157
HF Energy	-398.518319
Nuclear repulsion energy	63.087764

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	381	354	0.00
2	Σ_u	716	665	165.45
3	Π_u	45	42	116.19
3	Π_u	45	42	116.19

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		1.9838	1.9838
Na2	1.9838		3.9675
Na3	1.9838	3.9675

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

using model chemistry: CID/6-311G*

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		1.9836	1.9836
Na2	1.9836		3.9672
Na3	1.9836	3.9672

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

using model chemistry: CID/6-311G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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