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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	-16.002482
Energy at 298.15K	-16.003756
HF Energy	-16.002482
Nuclear repulsion energy	3.386956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	368	336	0.00
2	Σ_u	711	649	158.79
3	Π_u	106	96	182.56
3	Π_u	106	96	182.56

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.953
Na3	0.000	0.000	-1.953

	O1	Na2	Na3
O1		1.9530	1.9530
Na2	1.9530		3.9060
Na3	1.9530	3.9060

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

using model chemistry: HF/CEP-121G

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	-1.434
2	Na	0.717
3	Na	0.717

<r²>	8.659
(<r²>)^1/2	2.943

	O1	Na2	Na3
O1		1.9525	1.9525
Na2	1.9525		3.9051
Na3	1.9525	3.9051

Number	Element	Mulliken
1	O	-1.434
2	Na	0.717
3	Na	0.717

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

using model chemistry: HF/CEP-121G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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