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	hartrees
Energy at 0K	-474.929154
Energy at 298.15K
HF Energy	-474.929154
Nuclear repulsion energy	127.735974

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	764	764	0.00	36.42	0.02	0.04
2	A_g	351	351	0.00	40.72	0.03	0.05
3	B_1u	548	548	146.20	0.00	0.00	0.00
4	B_2u	245	245	110.87	0.00	0.00	0.00
5	B_3g	485	485	0.00	7.78	0.75	0.86
6	B_3u	69	69	116.65	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.933
Na2	0.000	-1.933
O3	0.778	0.000
O4	-0.778	0.000

	Na1	Na2	O3	O4
Na1		3.8654	2.0834	2.0834
Na2	3.8654		2.0834	2.0834
O3	2.0834	2.0834		1.5561
O4	2.0834	2.0834	1.5561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	136.144		Na1	O4	Na2	136.144
O3	Na1	O4	43.856		O3	Na2	O4	43.856

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

using model chemistry: B3PW91/daug-cc-pVTZ

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	0.890
2	Na	0.890
3	O	-0.890
4	O	-0.890

<r²>	100.378
(<r²>)^1/2	10.019

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

using model chemistry: B3PW91/daug-cc-pVTZ

States and conformations

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