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	hartrees
Energy at 0K	-166.477220
Energy at 298.15K	-166.478550
HF Energy	-166.477220
Nuclear repulsion energy	48.571479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3987	3846	21.45
2	A	714	688	0.62
3	A	559	539	81.04
4	A	276	266	27.71
5	A	192	185	143.22
6	B	3985	3844	180.58
7	B	1499	1446	404.96
8	B	557	537	323.86
9	B	262	253	61.30

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.016
O2	0.000	1.440	-0.056
O3	0.000	-1.440	-0.056
H4	0.563	2.054	0.411
H5	-0.563	-2.054	0.411

	Be1	O2	O3	H4	H5
Be1		1.4413	1.4413	2.1664	2.1664
O2	1.4413		2.8790	0.9556	3.5695
O3	1.4413	2.8790		3.5695	0.9556
H4	2.1664	0.9556	3.5695		4.2602
H5	2.1664	3.5695	0.9556	4.2602

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.176		Be1	O3	H5	128.176
O2	Be1	O3	174.272

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

using model chemistry: B3PW91/aug-cc-pVDZ

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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Number	Element	Mulliken
1	Be	-0.047
2	O	-0.090
3	O	-0.090
4	H	0.113
5	H	0.113

	x	y	z	Total
	0.000	0.000	1.648	1.648
CHELPG
AIM
ESP

	x	y	z
x	3.112	0.072	0.000
y	0.072	4.274	0.000
z	0.000	0.000	3.106

<r²>	52.518
(<r²>)^1/2	7.247

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

using model chemistry: B3PW91/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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