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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	-396.300795
Energy at 298.15K
HF Energy	-396.141064
Nuclear repulsion energy	64.283679

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	412	394	0.00
2	Σ_u	751	719	151.24
3	Π_u	18i	17i	90.20
3	Π_u	18i	17i	90.20

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.947
Na3	0.000	0.000	-1.947

	O1	Na2	Na3
O1		1.9468	1.9468
Na2	1.9468		3.8937
Na3	1.9468	3.8937

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

using model chemistry: CCD/3-21G*

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	-396.300798
Energy at 298.15K	-396.302245
HF Energy	-396.140959
Nuclear repulsion energy	64.314943

	O1	Na2	Na3
O1		1.9474	1.9474
Na2	1.9474		3.8833
Na3	1.9474	3.8833

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

using model chemistry: CCD/3-21G*

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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