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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	-166.600752
Energy at 298.15K
HF Energy	-166.600752
Nuclear repulsion energy	49.012320

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3985	3852	51.69
2	A₁	752	727	6.34
3	A₁	572	553	165.06
4	A₁	307	297	8.50
5	A₂	205i	198i	0.00
6	B₁	345	334	60.69
7	B₂	3982	3850	160.93
8	B₂	1544	1493	364.69
9	B₂	463	448	277.40

Atom	y (Å)	z (Å)
Be1	0.000	0.003
O2	1.422	0.075
O3	-1.422	0.075
H4	2.088	-0.606
H5	-2.088	-0.606

	Be1	O2	O3	H4	H5
Be1		1.4243	1.4243	2.1751	2.1751
O2	1.4243		2.8450	0.9525	3.5760
O3	1.4243	2.8450		3.5760	0.9525
H4	2.1751	0.9525	3.5760		4.1758
H5	2.1751	3.5760	0.9525	4.1758

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

using model chemistry: B3LYPultrafine/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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.428		Be1	O3	H5	131.428
O2	Be1	O3	174.222

Number	Element	Mulliken
1	Be	0.218
2	O	-0.310
3	O	-0.310
4	H	0.202
5	H	0.202

	x	y	z	Total
	0.000	0.000	-2.334	2.334
CHELPG
AIM
ESP

<r²>	51.544
(<r²>)^1/2	7.179

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

using model chemistry: B3LYPultrafine/cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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