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	hartrees
Energy at 0K	-16.790997
Energy at 298.15K	-16.792040
Nuclear repulsion energy	5.122051

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	3883	3764	0.08
2	Σ	537	520	52.43
3	Π	214	207	76.40
3	Π	214	207	76.30

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	0.121
Na2	0.000	0.000	-1.812
H3	0.000	0.000	1.084

	O1	Na2	H3
O1		1.9338	0.9629
Na2	1.9338		2.8967
H3	0.9629	2.8967

Number	Element	Mulliken
1	O	-1.072
2	Na	0.714
3	H	0.357

All results from a given calculation for NaOH (sodium hydroxide)

using model chemistry: B3LYP/CEP-121G*

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	2.874	-0.000	-0.001
y	-0.000	2.875	0.001
z	-0.001	0.001	3.328

<r²>	6.967
(<r²>)^1/2	2.640