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	hartrees
Energy at 0K	-238.130968
Energy at 298.15K	-238.132264
Nuclear repulsion energy	29.665934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3713	3699	6.58
2	A'	532	530	17.58
3	A'	334	333	102.67

Atom	x (Å)	y (Å)
O1	0.040	1.079
Na2	0.040	-0.933
H3	-0.760	1.631

	O1	Na2	H3
O1		2.0125	0.9711
Na2	2.0125		2.6856
H3	0.9711	2.6856

Number	Element	Mulliken
1	O	-0.684
2	Na	0.488
3	H	0.196

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

using model chemistry: BLYP/6-311G**

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
	-0.574	-5.493	0.000	5.523
CHELPG
AIM
ESP

	x	y	z
x	2.919	0.884	0.000
y	0.884	7.797	0.000
z	0.000	0.000	4.780

<r²>	29.533
(<r²>)^1/2	5.434