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	hartrees
Energy at 0K	-166.618694
Energy at 298.15K	-166.620131
HF Energy	-166.618694
Nuclear repulsion energy	49.089631

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3981	3856	27.59
2	A	750	727	2.01
3	A	537	521	105.11
4	A	316	306	24.61
5	A	206	200	119.96
6	B	3978	3854	189.76
7	B	1543	1495	391.16
8	B	525	509	329.74
9	B	312	303	72.09

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.004
O2	0.000	1.421	-0.053
O3	0.000	-1.421	-0.053
H4	0.503	2.066	0.433
H5	-0.503	-2.066	0.433

	Be1	O2	O3	H4	H5
Be1		1.4218	1.4218	2.1707	2.1707
O2	1.4218		2.8419	0.9517	3.5563
O3	1.4218	2.8419		3.5563	0.9517
H4	2.1707	0.9517	3.5563		4.2525
H5	2.1707	3.5563	0.9517	4.2525

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.266		Be1	O3	H5	131.266
O2	Be1	O3	176.056

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

using model chemistry: B3LYP/cc-pVQZ

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	0.737
2	O	-0.601
3	O	-0.601
4	H	0.232
5	H	0.232

	x	y	z	Total
	0.000	0.000	1.673	1.673
CHELPG
AIM
ESP

	x	y	z
x	2.848	0.082	0.000
y	0.082	4.043	0.000
z	0.000	0.000	2.860

<r²>	51.500
(<r²>)^1/2	7.176

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

using model chemistry: B3LYP/cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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