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	hartrees
Energy at 0K	-475.011688
Energy at 298.15K
HF Energy	-475.011688
Nuclear repulsion energy	125.678163

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	642	642	0.00	67.67	0.03	0.06
2	A_g	334	334	0.00	104.03	0.03	0.06
3	B_1u	528	528	124.65	0.00	0.00	0.00
4	B_2u	246	246	102.66	0.00	0.00	0.00
5	B_3g	453	453	0.00	27.38	0.75	0.86
6	B_3u	61	61	103.07	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.941
Na2	0.000	-1.941
O3	0.817	0.000
O4	-0.817	0.000

	Na1	Na2	O3	O4
Na1		3.8815	2.1057	2.1057
Na2	3.8815		2.1057	2.1057
O3	2.1057	2.1057		1.6343
O4	2.1057	2.1057	1.6343

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	134.334		Na1	O4	Na2	134.334
O3	Na1	O4	45.666		O3	Na2	O4	45.666

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

using model chemistry: BLYP/daug-cc-pVDZ

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	0.794
2	Na	0.794
3	O	-0.794
4	O	-0.794

<r²>	102.891
(<r²>)^1/2	10.144

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

using model chemistry: BLYP/daug-cc-pVDZ

States and conformations

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