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	hartrees
Energy at 0K	-165.680294
Energy at 298.15K	-165.681527
HF Energy	-165.680294
Nuclear repulsion energy	48.790137

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3894	3850	23.38
2	A	725	717	0.10
3	A	507	501	85.81
4	A	266	263	10.22
5	A	195	193	145.34
6	B	3892	3848	226.88
7	B	1531	1514	398.59
8	B	501	496	318.50
9	B	249	247	47.88

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.028
O2	0.000	1.426	-0.056
O3	0.000	-1.426	-0.056
H4	0.542	2.084	0.395
H5	-0.542	-2.084	0.395

	Be1	O2	O3	H4	H5
Be1		1.4284	1.4284	2.1840	2.1840
O2	1.4284		2.8517	0.9647	3.5797
O3	1.4284	2.8517		3.5797	0.9647
H4	2.1840	0.9647	3.5797		4.3061
H5	2.1840	3.5797	0.9647	4.3061

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.754		Be1	O3	H5	130.754
O2	Be1	O3	173.181

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

using model chemistry: LSDA/aug-cc-pVDZ

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	-0.200
2	O	-0.000
3	O	-0.000
4	H	0.100
5	H	0.100

	x	y	z	Total
	0.000	0.000	1.634	1.634
CHELPG
AIM
ESP

	x	y	z
x	3.291	0.078	0.000
y	0.078	4.654	0.000
z	0.000	0.000	3.290

<r²>	52.007
(<r²>)^1/2	7.212

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

using model chemistry: LSDA/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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