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	hartrees
Energy at 0K	-166.460168
Energy at 298.15K	-166.461508
HF Energy	-166.460168
Nuclear repulsion energy	48.146014

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3885	3885	17.21
2	A	691	691	1.30
3	A	568	568	73.32
4	A	275	275	21.20
5	A	196	196	127.15
6	B	3884	3884	144.58
7	B	1451	1451	382.27
8	B	564	564	298.60
9	B	267	267	56.81

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.019
O2	0.000	1.454	-0.059
O3	0.000	-1.454	-0.059
H4	0.559	2.060	0.434
H5	-0.559	-2.060	0.434

	Be1	O2	O3	H4	H5
Be1		1.4562	1.4562	2.1743	2.1743
O2	1.4562		2.9082	0.9605	3.5921
O3	1.4562	2.9082		3.5921	0.9605
H4	2.1743	0.9605	3.5921		4.2687
H5	2.1743	3.5921	0.9605	4.2687

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	127.025		Be1	O3	H5	127.025
O2	Be1	O3	173.832

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

using model chemistry: B97D3/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	-0.003
2	O	-0.103
3	O	-0.103
4	H	0.105
5	H	0.105

	x	y	z	Total
	0.000	0.000	1.666	1.666
CHELPG
AIM
ESP

	x	y	z
x	3.374	0.050	0.000
y	0.050	4.612	0.000
z	0.000	0.000	3.377

<r²>	53.451
(<r²>)^1/2	7.311

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

using model chemistry: B97D3/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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