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	hartrees
Energy at 0K	-238.132729
Energy at 298.15K	-238.133923
Nuclear repulsion energy	29.607826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3749	3741	10.19
2	A'	522	521	46.47
3	A'	255	254	52.77

Atom	x (Å)	y (Å)
O1	0.032	1.069
Na2	0.032	-0.941
H3	-0.608	1.798

	O1	Na2	H3
O1		2.0092	0.9707
Na2	2.0092		2.8128
H3	0.9707	2.8128

Number	Element	Mulliken
1	O	-0.875
2	Na	0.845
3	H	0.031

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

using model chemistry: BLYP/aug-cc-pVDZ

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
	-0.351	-6.759	0.000	6.768
CHELPG
AIM
ESP

	x	y	z
x	3.817	0.972	0.000
y	0.972	7.194	0.000
z	0.000	0.000	4.570

<r²>	29.775
(<r²>)^1/2	5.457