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	hartrees
Energy at 0K	-166.353550
Energy at 298.15K	-166.354883
HF Energy	-166.353550
Nuclear repulsion energy	48.630033

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4012	3858	22.38
2	A	717	690	0.53
3	A	563	541	81.84
4	A	274	264	27.45
5	A	195	188	145.55
6	B	4010	3856	186.43
7	B	1506	1448	404.57
8	B	561	539	325.44
9	B	259	249	61.90

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.017
O2	0.000	1.438	-0.056
O3	0.000	-1.438	-0.056
H4	0.565	2.049	0.412
H5	-0.565	-2.049	0.412

	Be1	O2	O3	H4	H5
Be1		1.4398	1.4398	2.1617	2.1617
O2	1.4398		2.8759	0.9544	3.5630
O3	1.4398	2.8759		3.5630	0.9544
H4	2.1617	0.9544	3.5630		4.2507
H5	2.1617	3.5630	0.9544	4.2507

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	127.924		Be1	O3	H5	127.924
O2	Be1	O3	174.219

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

using model chemistry: PBE1PBE/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	-0.047
2	O	-0.101
3	O	-0.101
4	H	0.125
5	H	0.125

	x	y	z	Total
	0.000	0.000	1.661	1.661
CHELPG
AIM
ESP

	x	y	z
x	3.100	0.068	0.000
y	0.068	4.229	0.000
z	0.000	0.000	3.095

<r²>	52.427
(<r²>)^1/2	7.241

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

using model chemistry: PBE1PBE/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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