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	hartrees
Energy at 0K	-1342.894652
Energy at 298.15K
HF Energy	-1342.894652
Nuclear repulsion energy	193.417136

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	135	130	16.51	0.00	0.68	0.81
2	?_a	46	45	21.91	0.00	0.29	0.45
3	A_g	906	873	0.00	95554.59	0.70	0.82
4	A_g	190	183	0.00	2620.02	0.60	0.75
5	B_1u	363	350	195.10	0.00	0.24	0.38
6	B_3g	369	356	0.00	2006.22	0.75	0.86

Atom	y (Å)	z (Å)
K1	0.000	2.354
K2	0.000	-2.354
O3	0.749	0.000
O4	-0.749	0.000

	K1	K2	O3	O4
K1		4.7080	2.4704	2.4704
K2	4.7080		2.4704	2.4704
O3	2.4704	2.4704		1.4986
O4	2.4704	2.4704	1.4986

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	144.687		K1	O4	K2	144.687
O3	K1	O4	35.313		O3	K2	O4	35.313

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

using model chemistry: HSEh1PBE/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	0.476
2	K	0.476
3	O	-0.476
4	O	-0.476

	x	y	z
x	31.108	0.750	0.000
y	0.750	36.501	0.000
z	0.000	0.000	295.169

<r²>	242.906
(<r²>)^1/2	15.585

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

using model chemistry: HSEh1PBE/3-21G

States and conformations

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