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	hartrees
Energy at 0K	-472.118757
Energy at 298.15K
HF Energy	-472.118757
Nuclear repulsion energy	130.535430

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	822	781	0.00	32.27	0.01	0.01
2	A_g	389	369	0.00	34.06	0.17	0.28
3	B_1u	604	574	112.98	0.00	0.00	0.00
4	B_2u	292	277	77.39	0.00	0.00	0.00
5	B_3g	537	510	0.00	1.11	0.75	0.86
6	B_3u	48	45	103.12	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.848
Na2	0.000	-1.848
O3	0.811	0.000
O4	-0.811	0.000

	Na1	Na2	O3	O4
Na1		3.6954	2.0177	2.0177
Na2	3.6954		2.0177	2.0177
O3	2.0177	2.0177		1.6212
O4	2.0177	2.0177	1.6212

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	132.624		Na1	O4	Na2	132.624
O3	Na1	O4	47.376		O3	Na2	O4	47.376

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

using model chemistry: mPW1PW91/3-21G*

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	0.439
2	Na	0.439
3	O	-0.439
4	O	-0.439

<r²>	94.782
(<r²>)^1/2	9.736

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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