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	hartrees
Energy at 0K	-166.521918
Energy at 298.15K	-166.523319
HF Energy	-166.521918
Nuclear repulsion energy	48.628064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3913	3913	18.49
2	A	720	720	2.03
3	A	552	552	78.94
4	A	309	309	29.86
5	A	185	185	117.77
6	B	3912	3912	156.35
7	B	1481	1481	397.02
8	B	547	547	307.99
9	B	306	306	62.51

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.007
O2	0.000	1.437	-0.054
O3	0.000	-1.437	-0.054
H4	0.542	2.064	0.421
H5	-0.542	-2.064	0.421

	Be1	O2	O3	H4	H5
Be1		1.4387	1.4387	2.1736	2.1736
O2	1.4387		2.8747	0.9550	3.5746
O3	1.4387	2.8747		3.5746	0.9550
H4	2.1736	0.9550	3.5746		4.2677
H5	2.1736	3.5746	0.9550	4.2677

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.367		Be1	O3	H5	129.367
O2	Be1	O3	175.128

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

using model chemistry: B97D3/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	1.207
2	O	-0.866
3	O	-0.866
4	H	0.263
5	H	0.263

	x	y	z	Total
	0.000	0.000	1.566	1.566
CHELPG
AIM
ESP

	x	y	z
x	3.457	0.028	0.000
y	0.028	4.532	0.000
z	0.000	0.000	3.462

<r²>	52.503
(<r²>)^1/2	7.246

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

using model chemistry: B97D3/aug-cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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