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	hartrees
Energy at 0K	-234.915849
Energy at 298.15K	-234.917526
Nuclear repulsion energy	31.120488

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	2984	266.89
2	A'	851	788	18.59
3	A'	739	684	25.21

Atom	x (Å)	y (Å)
O1	0.053	1.036
Na2	0.053	-0.858
H3	-1.007	1.152

	O1	Na2	H3
O1		1.8938	1.0664
Na2	1.8938		2.2722
H3	1.0664	2.2722

Number	Element	Mulliken
1	O	-0.461
2	Na	0.479
3	H	-0.018

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

using model chemistry: BLYP/STO-3G

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
	-0.299	-5.541	0.000	5.549
CHELPG
AIM
ESP

	x	y	z
x	1.052	-0.337	0.000
y	-0.337	2.399	0.000
z	0.000	0.000	0.431

<r²>	25.000
(<r²>)^1/2	5.000