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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
1	2	yes	C2	¹A
1	3	no	D*H	¹Σ_g

	hartrees
Energy at 0K	-165.874616
Energy at 298.15K
HF Energy	-165.601993
Nuclear repulsion energy	49.056636

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	4064	3900	9.93
2	A₁	780	749	5.37
3	A₁	393	377	153.17
4	A₁	235	225	434.47
5	A₂	101i	97i	0.00
6	B₁	381	366	58.30
7	B₂	4063	3899	300.21
8	B₂	1658	1591	439.69
9	B₂	170	163	95.17

Atom	y (Å)	z (Å)
Be1	0.000	-0.008
O2	1.412	0.031
O3	-1.412	0.031
H4	2.327	-0.230
H5	-2.327	-0.230

	Be1	O2	O3	H4	H5
Be1		1.4124	1.4124	2.3375	2.3375
O2	1.4124		2.8238	0.9512	3.7478
O3	1.4124	2.8238		3.7478	0.9512
H4	2.3375	0.9512	3.7478		4.6538
H5	2.3375	3.7478	0.9512	4.6538

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

using model chemistry: CCD/6-31G

States and conformations

Conformer 1 (C2V)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	162.585		Be1	O3	H5	162.585
O2	Be1	O3	176.905

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

using model chemistry: CCD/6-31G

States and conformations

Conformer 1 (C2V)

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