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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	-393.390034
Energy at 298.15K
HF Energy	-393.340150
Nuclear repulsion energy	70.653368

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	615	536	0.00
2	Σ_u	1122	978	184.19
3	Π_u	181i	158i	82.10
3	Π_u	181i	158i	82.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.000
Na2	0.000	0.000	1.771
Na3	0.000	0.000	-1.771

	O1	Na2	Na3
O1		1.7713	1.7713
Na2	1.7713		3.5427
Na3	1.7713	3.5427

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

using model chemistry: MP2/STO-3G

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	-393.423546
Energy at 298.15K	-393.425586
HF Energy	-393.350776
Nuclear repulsion energy	74.692519

	O1	Na2	Na3
O1		1.8406	1.8406
Na2	1.8406		2.6577
Na3	1.8406	2.6577

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

using model chemistry: MP2/STO-3G

States and conformations

Conformer 1 (D*H)

Conformer 2 (C2V)

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