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	hartrees
Energy at 0K	-234.949308
Energy at 298.15K	-234.950993
Nuclear repulsion energy	31.475694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3469	3063	273.49
2	A'	846	747	28.10
3	A'	762	673	30.05

Atom	x (Å)	y (Å)
O1	0.052	1.025
Na2	0.052	-0.850
H3	-0.981	1.159

	O1	Na2	H3
O1		1.8750	1.0417
Na2	1.8750		2.2595
H3	1.0417	2.2595

Number	Element	Mulliken
1	O	-0.520
2	Na	0.535
3	H	-0.015

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

using model chemistry: B1B95/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
	-0.361	-6.055	0.000	6.066
CHELPG
AIM
ESP

	x	y	z
x	0.956	-0.295	0.000
y	-0.295	1.948	0.000
z	0.000	0.000	0.344

<r²>	24.547
(<r²>)^1/2	4.954