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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	-399.703254
Energy at 298.15K	-399.704330
HF Energy	-399.703254
Nuclear repulsion energy	63.728858

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	395	395	0.00
2	Σ_u	751	751	140.30
3	Π_u	43	43	106.65
3	Π_u	43	43	106.65

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.964
Na3	0.000	0.000	-1.964

	O1	Na2	Na3
O1		1.9638	1.9638
Na2	1.9638		3.9276
Na3	1.9638	3.9276

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

using model chemistry: M06-2X/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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Number	Element	Mulliken
1	O	-0.919
2	Na	0.460
3	Na	0.460

<r²>	90.500
(<r²>)^1/2	9.513

Number	Element	Mulliken
1	O	-0.919
2	Na	0.460
3	Na	0.460

<r²>	90.502
(<r²>)^1/2	9.513

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

using model chemistry: M06-2X/6-311G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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