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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	-398.697331
Energy at 298.15K
HF Energy	-398.485804
Nuclear repulsion energy	63.829573

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	404	376	0.00
2	Σ_u	748	696	209.89
3	Π_u	31i	29i	136.99
3	Π_u	31i	29i	136.99

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.959
Na3	0.000	0.000	-1.959

	O1	Na2	Na3
O1		1.9591	1.9591
Na2	1.9591		3.9181
Na3	1.9591	3.9181

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

using model chemistry: MP3/6-31+G**

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	-398.715503
Energy at 298.15K	-398.716985
HF Energy	-398.499467
Nuclear repulsion energy	62.568046

	O1	Na2	Na3
O1		2.0002	2.0002
Na2	2.0002		4.0005
Na3	2.0002	4.0005

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

using model chemistry: MP3/6-31+G**

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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