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	hartrees
Energy at 0K	-675.761897
Energy at 298.15K	-675.763106
HF Energy	-675.761897
Nuclear repulsion energy	44.333871

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3676	3666	20.45
2	Σ	468	467	56.79
3	Π	207	207	64.96
3	Π	207	207	64.79

Atom	x (Å)	y (Å)	z (Å)
K1	0.000	0.000	0.737
O2	0.000	0.000	-1.449
H3	0.000	0.000	-2.420

	K1	O2	H3
K1		2.1864	3.1572
O2	2.1864		0.9707
H3	3.1572	0.9707

Number	Element	Mulliken
1	K	0.596
2	O	-0.905
3	H	0.309

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

using model chemistry: BLYP/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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z
x	5.230	0.000	-0.000
y	0.000	5.227	-0.000
z	-0.000	-0.000	5.601

<r²>	44.555
(<r²>)^1/2	6.675