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	hartrees
Energy at 0K	-275.833803
Energy at 298.15K	-275.834697
HF Energy	-275.833803
Nuclear repulsion energy	34.903697

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3905	3698	29.16
2	A'	724	685	29.72
3	A'	386	366	141.73

Atom	x (Å)	y (Å)
O1	0.037	1.010
Mg2	0.037	-0.806
H3	-0.733	1.588

	O1	Mg2	H3
O1		1.8155	0.9629
Mg2	1.8155		2.5144
H3	0.9629	2.5144

Number	Element	Mulliken
1	O	-0.888
2	Mg	0.488
3	H	0.401

All results from a given calculation for MgOH (magnesium hydroxide)

using model chemistry: M06-2X/6-31G*

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
	-1.169	-1.627	0.000	2.003
CHELPG
AIM
ESP

	x	y	z
x	7.173	-0.203	-0.000
y	-0.203	6.461	-0.004
z	-0.000	-0.004	6.923

<r²>	29.170
(<r²>)^1/2	5.401