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	hartrees
Energy at 0K	-166.601915
Energy at 298.15K	-166.603344
HF Energy	-166.601915
Nuclear repulsion energy	48.905956

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3949	3949	21.29
2	A	737	737	2.27
3	A	556	556	84.01
4	A	312	312	34.31
5	A	193	193	121.55
6	B	3948	3948	168.89
7	B	1517	1517	401.96
8	B	551	551	326.60
9	B	306	306	66.57

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.003
O2	0.000	1.427	-0.053
O3	0.000	-1.427	-0.053
H4	0.541	2.056	0.419
H5	-0.541	-2.056	0.419

	Be1	O2	O3	H4	H5
Be1		1.4283	1.4283	2.1666	2.1666
O2	1.4283		2.8544	0.9545	3.5568
O3	1.4283	2.8544		3.5568	0.9545
H4	2.1666	0.9545	3.5568		4.2527
H5	2.1666	3.5568	0.9545	4.2527

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.739		Be1	O3	H5	129.739
O2	Be1	O3	175.508

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

using model chemistry: TPSSh/aug-cc-pVQZ

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	0.976
2	O	-0.711
3	O	-0.711
4	H	0.223
5	H	0.223

	x	y	z	Total
	0.000	0.000	1.575	1.575
CHELPG
AIM
ESP

	x	y	z
x	3.289	0.045	0.000
y	0.045	4.333	0.000
z	0.000	0.000	3.289

<r²>	51.876
(<r²>)^1/2	7.202

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

using model chemistry: TPSSh/aug-cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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