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	hartrees
Energy at 0K	-237.126744
Energy at 298.15K	-237.127863
Nuclear repulsion energy	30.750604

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3861	3799	18.75
2	A'	610	601	30.09
3	A'	166	164	53.99

Atom	x (Å)	y (Å)
O1	0.029	1.018
Na2	0.029	-0.903
H3	-0.549	1.789

	O1	Na2	H3
O1		1.9210	0.9632
Na2	1.9210		2.7531
H3	0.9632	2.7531

Number	Element	Mulliken
1	O	-0.616
2	Na	0.354
3	H	0.262

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

using model chemistry: LSDA/6-31G(2df,p)

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
	-0.394	-5.632	0.000	5.646
CHELPG
AIM
ESP

	x	y	z
x	3.399	0.910	-0.000
y	0.910	4.726	0.000
z	-0.000	0.000	4.049

<r²>	0.000
(<r²>)^1/2	0.000