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	hartrees
Energy at 0K	-1350.242862
Energy at 298.15K
HF Energy	-1350.242862
Nuclear repulsion energy	204.457831

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	804	804	0.00	24.06	0.10	0.18
2	A_g	268	268	0.00	7.94	0.10	0.18
3	B_1u	465	465	238.17	0.00	0.00	0.00
4	B_2u	188	188	92.62	0.00	0.00	0.00
5	B_3g	430	430	0.00	5.06	0.75	0.86
6	B_3u	49	49	85.23	0.00	0.75	0.86

Atom	y (Å)	z (Å)
K1	0.000	2.190
K2	0.000	-2.190
O3	0.765	0.000
O4	-0.765	0.000

	K1	K2	O3	O4
K1		4.3791	2.3195	2.3195
K2	4.3791		2.3195	2.3195
O3	2.3195	2.3195		1.5309
O4	2.3195	2.3195	1.5309

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
K1	O3	K2	141.461		K1	O4	K2	141.461
O3	K1	O4	38.539		O3	K2	O4	38.539

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

using model chemistry: wB97X-D/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	0.678
2	K	0.678
3	O	-0.678
4	O	-0.678

<r²>	206.540
(<r²>)^1/2	14.372

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

using model chemistry: wB97X-D/6-311G*

States and conformations

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