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State	Conformation	minimum conformation	conformer description	state description
1	1	no	D*H	¹Σ_g
1	2	yes	C2V	¹A₁

	hartrees
Energy at 0K	-398.731359
Energy at 298.15K
HF Energy	-398.483757
Nuclear repulsion energy	61.998723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	341	322	0.00
2	Σ_u	651	614	98.76
3	Π_u	70i	66i	58.70
3	Π_u	70i	66i	58.70

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.997
Na3	0.000	0.000	-1.997

	O1	Na2	Na3
O1		1.9970	1.9970
Na2	1.9970		3.9941
Na3	1.9970	3.9941

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

using model chemistry: MP2/6-31G*

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K	-398.732859
Energy at 298.15K	-398.734293
HF Energy	-398.479591
Nuclear repulsion energy	62.744101

	O1	Na2	Na3
O1		2.0057	2.0057
Na2	2.0057		3.9502
Na3	2.0057	3.9502

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

using model chemistry: MP2/6-31G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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