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	hartrees
Energy at 0K	-675.632053
Energy at 298.15K	-675.633475
HF Energy	-675.632053
Nuclear repulsion energy	43.842684

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3924	3761	5.91
2	Σ	481	461	55.64
3	Π	283	271	64.08
3	Π	283	271	64.08

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.747
O2	0.000	0.000	-1.471
H3	0.000	0.000	-2.429

	K1	O2	H3
K1		2.2182	3.1767
O2	2.2182		0.9584
H3	3.1767	0.9584

Number	Element	Mulliken
1	K	0.664
2	O	-0.904
3	H	0.240

All results from a given calculation for KOH (Potassium hydroxide)

using model chemistry: B3PW91/6-31G**

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	4.000	0.000	-0.000
y	0.000	4.000	0.000
z	-0.000	0.000	5.063

<r²>	45.245
(<r²>)^1/2	6.726