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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	-398.619606
Energy at 298.15K	-398.620612
HF Energy	-398.471177
Nuclear repulsion energy	63.013634

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	373	349	0.00
2	Σ_u	711	665	153.56
3	Π_u	35	33	106.62
3	Π_u	35	33	106.62

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.986
Na3	0.000	0.000	-1.986

	O1	Na2	Na3
O1		1.9861	1.9861
Na2	1.9861		3.9722
Na3	1.9861	3.9722

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

using model chemistry: CID/6-31G

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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	O1	Na2	Na3
O1		1.9859	1.9859
Na2	1.9859		3.9718
Na3	1.9859	3.9718

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

using model chemistry: CID/6-31G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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