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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	-398.797593
Energy at 298.15K
HF Energy	-398.527837
Nuclear repulsion energy	60.912997

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	322	309	0.00
2	Σ_u	622	596	103.44
3	Π_u	34i	33i	104.10
3	Π_u	34i	33i	104.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	2.055
Na3	0.000	0.000	-2.055

	O1	Na2	Na3
O1		2.0546	2.0546
Na2	2.0546		4.1092
Na3	2.0546	4.1092

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

using model chemistry: MP2/aug-cc-pVDZ

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	-398.797747
Energy at 298.15K	-398.799094
HF Energy	-398.526182
Nuclear repulsion energy	61.281931

	O1	Na2	Na3
O1		2.0621	2.0621
Na2	2.0621		3.9729
Na3	2.0621	3.9729

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

using model chemistry: MP2/aug-cc-pVDZ

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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