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	hartrees
Energy at 0K	-238.034195
Energy at 298.15K	-238.035410
Nuclear repulsion energy	30.170724

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3853	3686	4.68
2	A'	566	542	27.23
3	A'	255	244	115.22

Atom	x (Å)	y (Å)
O1	0.036	1.051
Na2	0.036	-0.919
H3	-0.676	1.700

	O1	Na2	H3
O1		1.9708	0.9629
Na2	1.9708		2.7141
H3	0.9629	2.7141

Number	Element	Mulliken	ESP
1	O	-0.903	-1.065
2	Na	0.558	0.749
3	H	0.345	0.316

All results from a given calculation for NaOH (sodium 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	Total
	-0.633	-5.984	0.000	6.017
CHELPG
AIM
ESP	-1.081	-6.101	0.000	6.197

<r²>	28.354
(<r²>)^1/2	5.325