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	hartrees
Energy at 0K	-1350.348575
Energy at 298.15K
HF Energy	-1350.348575
Nuclear repulsion energy	200.481210

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	747	747	0.00	9.84	0.48	0.65
2	A_g	255	255	0.00	14.94	0.03	0.06
3	B_1u	449	449	219.53	0.00	0.00	0.00
4	B_2u	182	182	95.39	0.00	0.00	0.00
5	B_3g	423	423	0.00	3.30	0.75	0.86
6	B_3u	55	55	83.40	0.00	0.00	0.00

Atom	y (Å)	z (Å)
K1	0.000	2.236
K2	0.000	-2.236
O3	0.776	0.000
O4	-0.776	0.000

	K1	K2	O3	O4
K1		4.4720	2.3668	2.3668
K2	4.4720		2.3668	2.3668
O3	2.3668	2.3668		1.5518
O4	2.3668	2.3668	1.5518

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	141.726		K1	O4	K2	141.726
O3	K1	O4	38.274		O3	K2	O4	38.274

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

using model chemistry: B3LYPultrafine/Def2TZVPP

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	0.683
2	K	0.683
3	O	-0.683
4	O	-0.683

<r²>	215.017
(<r²>)^1/2	14.663

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

using model chemistry: B3LYPultrafine/Def2TZVPP

States and conformations

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