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	hartrees
Energy at 0K	-238.092404
Energy at 298.15K	-238.093772
Nuclear repulsion energy	29.699801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3686	3658	11.51
2	A'	528	524	18.85
3	A'	410	407	113.52

Atom	x (Å)	y (Å)
O1	0.043	1.084
Na2	0.043	-0.929
H3	-0.818	1.544

	O1	Na2	H3
O1		2.0124	0.9762
Na2	2.0124		2.6186
H3	0.9762	2.6186

Number	Element	Mulliken
1	O	-0.685
2	Na	0.447
3	H	0.238

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

using model chemistry: BLYP/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	Total
	-0.609	-5.320	0.000	5.355
CHELPG
AIM
ESP

<r²>	29.516
(<r²>)^1/2	5.433