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	hartrees
Energy at 0K	-166.404229
Energy at 298.15K
HF Energy	-166.404229
Nuclear repulsion energy	49.459715

	hartrees
Energy at 0K	-166.404175
Energy at 298.15K
HF Energy	-166.404175
Nuclear repulsion energy	49.615148

	hartrees
Energy at 0K	-166.404229
Energy at 298.15K	-166.404789
HF Energy	-166.404229
Nuclear repulsion energy	49.457544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4110	3937	0.00
2	Σ_g	789	755	0.00
3	Σ_u	4109	3935	364.95
4	Σ_u	1687	1615	431.39
5	Π_g	153	146	0.00
5	Π_g	153	146	0.00
6	Π_u	403	386	104.21
6	Π_u	403	386	104.21
7	Π_u	169	162	494.11
7	Π_u	169	162	494.11

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
O2	0.000	0.000	1.398
O3	0.000	0.000	-1.398
H4	0.000	0.000	2.345
H5	0.000	0.000	-2.345

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

using model chemistry: B3PW91/6-31G

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		1.3981	1.3981	2.3450	2.3450
O2	1.3981		2.7963	0.9468	3.7431
O3	1.3981	2.7963		3.7431	0.9468
H4	2.3450	0.9468	3.7431		4.6899
H5	2.3450	3.7431	0.9468	4.6899

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	0.667
2	O	-0.734
3	O	-0.734
4	H	0.401
5	H	0.401

<r²>	50.551
(<r²>)^1/2	7.110

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

using model chemistry: B3PW91/6-31G

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)