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	hartrees
Energy at 0K	-166.509434
Energy at 298.15K	-166.510867
HF Energy	-166.509434
Nuclear repulsion energy	48.547751

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3904	3845	18.43
2	A	717	706	2.19
3	A	562	553	77.20
4	A	314	309	29.33
5	A	189	186	117.66
6	B	3903	3843	152.19
7	B	1481	1458	394.75
8	B	558	550	305.42
9	B	310	305	62.26

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.007
O2	0.000	1.440	-0.055
O3	0.000	-1.440	-0.055
H4	0.547	2.061	0.425
H5	-0.547	-2.061	0.425

	Be1	O2	O3	H4	H5
Be1		1.4415	1.4415	2.1731	2.1731
O2	1.4415		2.8803	0.9562	3.5761
O3	1.4415	2.8803		3.5761	0.9562
H4	2.1731	0.9562	3.5761		4.2651
H5	2.1731	3.5761	0.9562	4.2651

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.881		Be1	O3	H5	128.881
O2	Be1	O3	175.128

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

using model chemistry: B97D3/aug-cc-pVTZ

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	0.612
2	O	-0.414
3	O	-0.414
4	H	0.108
5	H	0.108

	x	y	z	Total
	0.000	0.000	1.574	1.574
CHELPG
AIM
ESP

	x	y	z
x	3.460	0.032	0.000
y	0.032	4.553	0.000
z	0.000	0.000	3.463

<r²>	52.663
(<r²>)^1/2	7.257

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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