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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	-166.278337
Energy at 298.15K
HF Energy	-165.719738
Nuclear repulsion energy	48.934503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	4041	3988
2	A₁	746	736
3	A₁	517	510
4	A₁	285	281
5	A₂	195i	193i
6	B₁	328	324
7	B₂	4040	3987
8	B₂	1532	1512
9	B₂	416	410

Atom	y (Å)	z (Å)
Be1	0.000	-0.021
O2	1.424	0.077
O3	-1.424	0.077
H4	2.118	-0.572
H5	-2.118	-0.572

	Be1	O2	O3	H4	H5
Be1		1.4276	1.4276	2.1887	2.1887
O2	1.4276		2.8484	0.9502	3.6013
O3	1.4276	2.8484		3.6013	0.9502
H4	2.1887	0.9502	3.6013		4.2362
H5	2.1887	3.6013	0.9502	4.2362

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

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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	hartrees
Energy at 0K	-166.278971
Energy at 298.15K	-166.280265
HF Energy	-165.720333
Nuclear repulsion energy	48.898728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4026	3974
2	A	741	731
3	A	508	502
4	A	298	294
5	A	177	175
6	B	4025	3972
7	B	1530	1509
8	B	499	492
9	B	286	282

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.010
O2	0.000	1.428	-0.053
O3	0.000	-1.428	-0.053
H4	0.538	2.067	0.402
H5	-0.538	-2.067	0.402

	Be1	O2	O3	H4	H5
Be1		1.4295	1.4295	2.1718	2.1718
O2	1.4295		2.8562	0.9512	3.5656
O3	1.4295	2.8562		3.5656	0.9512
H4	2.1718	0.9512	3.5656		4.2721
H5	2.1718	3.5656	0.9512	4.2721

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	132.982		Be1	O3	H5	132.982
O2	Be1	O3	172.152

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.567		Be1	O3	H5	130.567
O2	Be1	O3	174.995

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

using model chemistry: CCSD(T)/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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