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	hartrees
Energy at 0K	-474.993820
Energy at 298.15K
HF Energy	-474.993820
Nuclear repulsion energy	126.140535

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	638	639	0.00	5.12	0.25	0.41
2	A_g	344	345	0.00	78.52	0.12	0.22
3	B_1u	543	543	116.40	0.00	0.00	0.00
4	B_2u	256	256	83.93	0.00	0.00	0.00
5	B_3g	473	474	0.00	16.37	0.75	0.86
6	B_3u	66	66	91.75	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.923
Na2	0.000	-1.923
O3	0.826	0.000
O4	-0.826	0.000

	Na1	Na2	O3	O4
Na1		3.8456	2.0929	2.0929
Na2	3.8456		2.0929	2.0929
O3	2.0929	2.0929		1.6529
O4	2.0929	2.0929	1.6529

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	133.482		Na1	O4	Na2	133.482
O3	Na1	O4	46.518		O3	Na2	O4	46.518

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

using model chemistry: BLYP/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	0.417
2	Na	0.417
3	O	-0.417
4	O	-0.417

<r²>	101.561
(<r²>)^1/2	10.078

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

using model chemistry: BLYP/cc-pVDZ

States and conformations

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