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	hartrees
Energy at 0K	-237.104192
Energy at 298.15K	-237.105523
Nuclear repulsion energy	30.352715

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3678	17.51
2	A'	566	555	17.85
3	A'	352	345	118.77

Atom	x (Å)	y (Å)
O1	0.040	1.050
Na2	0.040	-0.908
H3	-0.769	1.590

	O1	Na2	H3
O1		1.9579	0.9730
Na2	1.9579		2.6256
H3	0.9730	2.6256

Number	Element	Mulliken
1	O	-0.822
2	Na	0.472
3	H	0.350

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

using model chemistry: LSDA/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
	-0.678	-5.404	0.000	5.446
CHELPG
AIM
ESP

	x	y	z
x	2.757	0.962	0.000
y	0.962	7.006	0.000
z	0.000	0.000	4.494

<r²>	0.000
(<r²>)^1/2	0.000