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	hartrees
Energy at 0K	-474.882574
Energy at 298.15K
HF Energy	-474.882574
Nuclear repulsion energy	127.653957

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	750	724	0.00	12.18	0.23	0.38
2	A_g	354	341	0.00	33.18	0.07	0.13
3	B_1u	553	533	147.30	0.00	0.00	0.00
4	B_2u	245	236	111.84	0.00	0.00	0.00
5	B_3g	481	464	0.00	9.09	0.75	0.86
6	B_3u	60	58	117.84	0.00	0.00	0.00

Atom	y (Å)	z (Å)
Na1	0.000	1.932
Na2	0.000	-1.932
O3	0.781	0.000
O4	-0.781	0.000

	Na1	Na2	O3	O4
Na1		3.8639	2.0837	2.0837
Na2	3.8639		2.0837	2.0837
O3	2.0837	2.0837		1.5614
O4	2.0837	2.0837	1.5614

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Na1	O3	Na2	135.992		Na1	O4	Na2	135.992
O3	Na1	O4	44.008		O3	Na2	O4	44.008

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

using model chemistry: B3PW91/aug-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	0.809
2	Na	0.809
3	O	-0.809
4	O	-0.809

<r²>	100.382
(<r²>)^1/2	10.019

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

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