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	hartrees
Energy at 0K	-33.682182
Energy at 298.15K
HF Energy	-33.682182
Nuclear repulsion energy	25.520593

	hartrees
Energy at 0K	-33.682189
Energy at 298.15K
HF Energy	-33.682189
Nuclear repulsion energy	25.517272

	hartrees
Energy at 0K	-33.682190
Energy at 298.15K	-33.683830
HF Energy	-33.682190
Nuclear repulsion energy	25.518894

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4368	3986	0.00
2	Σ_g	794	724	0.00
3	Σ_u	4367	3985	414.18
4	Σ_u	1635	1492	482.05
5	Π_g	354	323	0.00
5	Π_g	354	323	0.00
6	Π_u	460	420	539.01
6	Π_u	460	420	539.01
7	Π_u	322	294	327.39
7	Π_u	322	294	327.39

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
O2	0.000	0.000	1.391
O3	0.000	0.000	-1.391
H4	0.000	0.000	2.324
H5	0.000	0.000	-2.324

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

using model chemistry: HF/CEP-121G

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	Be1	O2	O3	H4	H5
Be1		1.3908	1.3908	2.3240	2.3240
O2	1.3908		2.7815	0.9333	3.7148
O3	1.3908	2.7815		3.7148	0.9333
H4	2.3240	0.9333	3.7148		4.6481
H5	2.3240	3.7148	0.9333	4.6481

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	180.000		Be1	O3	H5	180.000
O2	Be1	O3	180.000

Number	Element	Mulliken
1	Be	0.987
2	O	-0.961
3	O	-0.961
4	H	0.468
5	H	0.468

<r²>	42.690
(<r²>)^1/2	6.534

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

using model chemistry: HF/CEP-121G

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

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