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	hartrees
Energy at 0K	-472.114300
Energy at 298.15K
HF Energy	-472.114300
Nuclear repulsion energy	127.070712

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A_g	695	692	0.00	134.38	0.45	0.62
2	A_g	343	341	0.00	151.88	0.11	0.19
3	B_1u	548	545	51.61	0.00	0.00	0.00
4	B_2u	258	257	65.07	0.00	0.00	0.00
5	B_3g	473	470	0.00	0.82	0.75	0.86
6	B_3u	44i	44i	75.12	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.885
Na2	0.000	-1.885
O3	0.848	0.000
O4	-0.848	0.000

	Na1	Na2	O3	O4
Na1		3.7708	2.0671	2.0671
Na2	3.7708		2.0671	2.0671
O3	2.0671	2.0671		1.6951
O4	2.0671	2.0671	1.6951

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	131.590		Na1	O4	Na2	131.590
O3	Na1	O4	48.410		O3	Na2	O4	48.410

All results from a given calculation for Na₂O₂ (disodium dioxide)

using model chemistry: BLYP/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Na	0.435
2	Na	0.435
3	O	-0.435
4	O	-0.435

<r²>	100.290
(<r²>)^1/2	10.015

All results from a given calculation for Na2O2 (disodium dioxide)

using model chemistry: BLYP/3-21G

States and conformations

All results from a given calculation for Na₂O₂ (disodium dioxide)