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	hartrees
Energy at 0K	-233.940923
Energy at 298.15K	-233.942618
Nuclear repulsion energy	31.680896

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3457	3096	192.28
2	A'	860	770	32.37
3	A'	776	695	20.96

Atom	x (Å)	y (Å)
O1	0.052	1.017
Na2	0.052	-0.843
H3	-0.986	1.138

	O1	Na2	H3
O1		1.8608	1.0447
Na2	1.8608		2.2363
H3	1.0447	2.2363

Number	Element	Mulliken
1	O	-0.482
2	Na	0.462
3	H	0.020

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

using model chemistry: LSDA/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
	-0.488	-5.391	0.000	5.413
CHELPG
AIM
ESP

	x	y	z
x	0.998	-0.286	0.000
y	-0.286	2.273	0.000
z	0.000	0.000	0.435

<r²>	0.000
(<r²>)^1/2	0.000