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	hartrees
Energy at 0K	-238.080389
Energy at 298.15K	-238.081611
Nuclear repulsion energy	30.217873

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3934	3756	3.93
2	A'	592	565	28.26
3	A'	246	235	108.02

Atom	x (Å)	y (Å)
O1	0.035	1.050
Na2	0.035	-0.918
H3	-0.669	1.700

	O1	Na2	H3
O1		1.9688	0.9583
Na2	1.9688		2.7113
H3	0.9583	2.7113

Number	Element	Mulliken
1	O	-0.806
2	Na	0.554
3	H	0.252

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

using model chemistry: B1B95/6-31G**

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
	-0.601	-5.987	0.000	6.017
CHELPG
AIM
ESP

	x	y	z
x	2.502	0.915	-0.000
y	0.915	5.184	-0.001
z	-0.000	-0.001	3.520

<r²>	28.308
(<r²>)^1/2	5.321