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	hartrees
Energy at 0K	-1342.911669
Energy at 298.15K
HF Energy	-1342.911669
Nuclear repulsion energy	200.450227

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	833	799	0.00	35.20	0.13	0.24
2	A_g	262	252	0.00	21.05	0.05	0.10
3	B_1u	459	441	133.27	0.00	0.73	0.84
4	B_2u	203	195	84.84	0.00	0.00	0.00
5	B_3g	459	441	0.00	8.28	0.75	0.86
6	B_3u	72	69	89.97	0.00	0.75	0.86

Atom	y (Å)	z (Å)
K1	0.000	2.220
K2	0.000	-2.220
O3	0.801	0.000
O4	-0.801	0.000

	K1	K2	O3	O4
K1		4.4407	2.3605	2.3605
K2	4.4407		2.3605	2.3605
O3	2.3605	2.3605		1.6028
O4	2.3605	2.3605	1.6028

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	140.308		K1	O4	K2	140.308
O3	K1	O4	39.692		O3	K2	O4	39.692

All results from a given calculation for K₂O₂ (dipotassium dioxide)

using model chemistry: PBE1PBE/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	K	0.412
2	K	0.412
3	O	-0.412
4	O	-0.412

<r²>	213.289
(<r²>)^1/2	14.604

All results from a given calculation for K2O2 (dipotassium dioxide)

using model chemistry: PBE1PBE/3-21G*

States and conformations

All results from a given calculation for K₂O₂ (dipotassium dioxide)