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	hartrees
Energy at 0K	-1350.322703
Energy at 298.15K
HF Energy	-1350.322703
Nuclear repulsion energy	203.671718

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	738	714	0.00	51.09	0.01	0.01
2	A_g	274	265	0.00	14.46	0.10	0.18
3	B_1u	478	462	231.02	0.00	0.00	0.00
4	B_2u	189	183	87.81	0.00	0.00	0.00
5	B_3g	424	410	0.00	6.71	0.75	0.86
6	B_3u	43	42	79.06	0.00	0.00	0.00

Atom	y (Å)	z (Å)
K1	0.000	2.188
K2	0.000	-2.188
O3	0.784	0.000
O4	-0.784	0.000

	K1	K2	O3	O4
K1		4.3761	2.3243	2.3243
K2	4.3761		2.3243	2.3243
O3	2.3243	2.3243		1.5683
O4	2.3243	2.3243	1.5683

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	140.568		K1	O4	K2	140.568
O3	K1	O4	39.432		O3	K2	O4	39.432

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

using model chemistry: B3LYPultrafine/6-311G*

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	0.649
2	K	0.649
3	O	-0.649
4	O	-0.649

<r²>	207.266
(<r²>)^1/2	14.397

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

using model chemistry: B3LYPultrafine/6-311G*

States and conformations

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