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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
1	2	yes	C2	¹A

	hartrees
Energy at 0K	-166.462853
Energy at 298.15K
HF Energy	-166.462853
Nuclear repulsion energy	48.946696

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	4079	4079	55.10
2	A₁	745	745	6.67
3	A₁	576	576	188.60
4	A₁	273	273	5.33
5	A₂	234i	234i	0.00
6	B₁	337	337	80.16
7	B₂	4077	4077	137.11
8	B₂	1563	1563	371.37
9	B₂	442	442	316.46

Atom	y (Å)	z (Å)
Be1	0.000	0.022
O2	1.427	0.075
O3	-1.427	0.075
H4	2.051	-0.644
H5	-2.051	-0.644

	Be1	O2	O3	H4	H5
Be1		1.4284	1.4284	2.1564	2.1564
O2	1.4284		2.8549	0.9515	3.5520
O3	1.4284	2.8549		3.5520	0.9515
H4	2.1564	0.9515	3.5520		4.1022
H5	2.1564	3.5520	0.9515	4.1022

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

using model chemistry: wB97X-D/6-31G**

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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.833		Be1	O3	H5	128.833
O2	Be1	O3	175.759

Number	Element	Mulliken
1	Be	0.370
2	O	-0.506
3	O	-0.506
4	H	0.321
5	H	0.321

	x	y	z	Total
	0.000	0.000	-2.586	2.586
CHELPG
AIM
ESP

<r²>	51.228
(<r²>)^1/2	7.157

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

using model chemistry: wB97X-D/6-31G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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