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	hartrees
Energy at 0K	-166.382618
Energy at 298.15K
HF Energy	-166.382618
Nuclear repulsion energy	49.299323

	hartrees
Energy at 0K	-166.384444
Energy at 298.15K	-166.385928
HF Energy	-166.384444
Nuclear repulsion energy	48.977466

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4053	3889	24.78
2	A	748	718	1.00
3	A	526	505	148.98
4	A	349	335	18.38
5	A	200	192	179.13
6	B	4051	3887	227.70
7	B	1588	1524	443.37
8	B	519	498	401.67
9	B	340	326	82.19

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.003
O2	0.000	1.425	-0.048
O3	0.000	-1.425	-0.048
H4	0.515	2.091	0.392
H5	-0.515	-2.091	0.392

	Be1	O2	O3	H4	H5
Be1		1.4253	1.4253	2.1897	2.1897
O2	1.4253		2.8492	0.9505	3.5805
O3	1.4253	2.8492		3.5805	0.9505
H4	2.1897	0.9505	3.5805		4.3074
H5	2.1897	3.5805	0.9505	4.3074

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

using model chemistry: PBE1PBE/TZVP

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	133.352		Be1	O3	H5	133.352
O2	Be1	O3	176.397

Number	Element	Mulliken
1	Be	0.610
2	O	-0.612
3	O	-0.612
4	H	0.307
5	H	0.307

	x	y	z	Total
	0.000	0.000	1.760	1.760
CHELPG
AIM
ESP

	x	y	z
x	2.045	0.142	0.000
y	0.142	3.863	0.000
z	0.000	0.000	2.027

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

using model chemistry: PBE1PBE/TZVP

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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