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	hartrees
Energy at 0K	-238.135126
Energy at 298.15K	-238.136298
HF Energy	-238.135126
Nuclear repulsion energy	30.197845

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ	4020	3845	5.72
2	Σ	540	516	82.55
3	Π	257	246	71.05
3	Π	257	246	71.10

Atom	x (Å)	y (Å)	z (Å)
O1	0.000	0.000	-1.023
Na2	0.000	0.000	0.924
H3	0.000	0.000	-1.973

	O1	Na2	H3
O1		1.9472	0.9496
Na2	1.9472		2.8968
H3	0.9496	2.8968

Number	Element	Mulliken
1	O	-1.057
2	Na	0.878
3	H	0.178

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

using model chemistry: wB97X-D/aug-cc-pVTZ

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
x	3.384	-0.001	0.000
y	-0.001	3.384	-0.000
z	0.000	-0.000	2.905

<r²>	28.598
(<r²>)^1/2	5.348