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	hartrees
Energy at 0K	-1349.868943
Energy at 298.15K
HF Energy	-1349.868943
Nuclear repulsion energy	202.321212

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	796	796	0.00	14.39	0.36	0.53
2	A_g	261	261	0.00	12.88	0.03	0.05
3	B_1u	459	459	226.00	0.00	0.00	0.00
4	B_2u	185	185	97.46	0.00	0.00	0.00
5	B_3g	437	437	0.00	3.63	0.75	0.86
6	B_3u	54	54	84.06	0.00	0.00	0.00

Atom	y (Å)	z (Å)
K1	0.000	2.221
K2	0.000	-2.221
O3	0.760	0.000
O4	-0.760	0.000

	K1	K2	O3	O4
K1		4.4422	2.3476	2.3476
K2	4.4422		2.3476	2.3476
O3	2.3476	2.3476		1.5209
O4	2.3476	2.3476	1.5209

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	142.201		K1	O4	K2	142.201
O3	K1	O4	37.799		O3	K2	O4	37.799

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

using model chemistry: HSEh1PBE/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	0.694
2	K	0.694
3	O	-0.694
4	O	-0.694

<r²>	211.987
(<r²>)^1/2	14.560

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

using model chemistry: HSEh1PBE/Def2TZVPP

States and conformations

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