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	hartrees
Energy at 0K	-1350.321161
Energy at 298.15K
HF Energy	-1350.321161
Nuclear repulsion energy	204.621154

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	738	0.00	54.97	0.01	0.02
2	A_g	278	278	0.00	13.47	0.10	0.18
3	B_1u	483	483	234.47	0.00	0.00	0.00
4	B_2u	194	194	87.50	0.00	0.00	0.00
5	B_3g	436	436	0.00	8.07	0.75	0.86
6	B_3u	42	42	78.26	0.00	0.00	0.00

Atom	y (Å)	z (Å)
K1	0.000	2.174
K2	0.000	-2.174
O3	0.786	0.000
O4	-0.786	0.000

	K1	K2	O3	O4
K1		4.3485	2.3121	2.3121
K2	4.3485		2.3121	2.3121
O3	2.3121	2.3121		1.5727
O4	2.3121	2.3121	1.5727

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	140.234		K1	O4	K2	140.234
O3	K1	O4	39.766		O3	K2	O4	39.766

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

using model chemistry: TPSSh/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	0.652
2	K	0.652
3	O	-0.652
4	O	-0.652

<r²>	205.038
(<r²>)^1/2	14.319

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

using model chemistry: TPSSh/6-311G**

States and conformations

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