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	hartrees
Energy at 0K	-166.541316
Energy at 298.15K	-166.542759
HF Energy	-166.541316
Nuclear repulsion energy	49.100839

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4046	3866	28.80
2	A	757	724	0.89
3	A	511	489	83.87
4	A	325	311	64.08
5	A	219	209	138.40
6	B	4043	3864	241.57
7	B	1565	1496	449.52
8	B	508	486	340.33
9	B	313	299	76.21

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.000
O2	0.000	1.420	-0.048
O3	0.000	-1.420	-0.048
H4	0.535	2.076	0.386
H5	-0.535	-2.076	0.386

	Be1	O2	O3	H4	H5
Be1		1.4210	1.4210	2.1785	2.1785
O2	1.4210		2.8403	0.9513	3.5635
O3	1.4210	2.8403		3.5635	0.9513
H4	2.1785	0.9513	3.5635		4.2879
H5	2.1785	3.5635	0.9513	4.2879

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	132.365		Be1	O3	H5	132.365
O2	Be1	O3	176.159

All results from a given calculation for Be(OH)₂ (Beryllium hydroxide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	Be	0.539
2	O	-0.453
3	O	-0.453
4	H	0.183
5	H	0.183

	x	y	z	Total
	0.000	0.000	1.543	1.543
CHELPG
AIM
ESP

	x	y	z
x	2.957	0.094	0.000
y	0.094	4.041	0.000
z	0.000	0.000	2.938

<r²>	51.533
(<r²>)^1/2	7.179

All results from a given calculation for Be(OH)2 (Beryllium hydroxide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

All results from a given calculation for Be(OH)₂ (Beryllium hydroxide)