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	hartrees
Energy at 0K	-165.528248
Energy at 298.15K
HF Energy	-165.528248
Nuclear repulsion energy	49.138167

	hartrees
Energy at 0K	-165.529402
Energy at 298.15K
HF Energy	-165.529402
Nuclear repulsion energy	48.730798

	hartrees
Energy at 0K	-165.527821
Energy at 298.15K
HF Energy	-165.527821
Nuclear repulsion energy	49.184514

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	3962	3801	0.00
2	Σ_g	831	797	0.00
3	Σ_u	3959	3798	367.67
4	Σ_u	1754	1682	342.68
5	Π_g	208i	199i	0.00
5	Π_g	208i	199i	0.00
6	Π_u	305	293	37.77
6	Π_u	305	293	37.77
7	Π_u	271i	260i	491.13
7	Π_u	271i	260i	491.13

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
O2	0.000	0.000	1.403
O3	0.000	0.000	-1.403
H4	0.000	0.000	2.362
H5	0.000	0.000	-2.362

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

using model chemistry: B3PW91/3-21G*

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		1.4031	1.4031	2.3625	2.3625
O2	1.4031		2.8062	0.9594	3.7655
O3	1.4031	2.8062		3.7655	0.9594
H4	2.3625	0.9594	3.7655		4.7249
H5	2.3625	3.7655	0.9594	4.7249

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	0.595
2	O	-0.690
3	O	-0.690
4	H	0.393
5	H	0.393

<r²>	50.715
(<r²>)^1/2	7.121

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

using model chemistry: B3PW91/3-21G*

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)