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	hartrees
Energy at 0K	-166.489523
Energy at 298.15K	-166.491081
HF Energy	-166.489523
Nuclear repulsion energy	48.656550

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4025	4025	24.39
2	A	728	728	0.43
3	A	577	577	91.91
4	A	325	325	42.48
5	A	283	283	130.76
6	B	4022	4022	210.30
7	B	1526	1526	412.38
8	B	577	577	335.43
9	B	272	272	61.67

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.016
O2	0.000	1.437	-0.055
O3	0.000	-1.437	-0.055
H4	0.575	2.047	0.404
H5	-0.575	-2.047	0.404

	Be1	O2	O3	H4	H5
Be1		1.4383	1.4383	2.1609	2.1609
O2	1.4383		2.8730	0.9557	3.5600
O3	1.4383	2.8730		3.5600	0.9557
H4	2.1609	0.9557	3.5600		4.2517
H5	2.1609	3.5600	0.9557	4.2517

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	127.873		Be1	O3	H5	127.873
O2	Be1	O3	174.346

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

using model chemistry: M06-2X/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	-0.152
2	O	-0.032
3	O	-0.032
4	H	0.108
5	H	0.108

	x	y	z	Total
	0.000	0.000	1.663	1.663
CHELPG
AIM
ESP

	x	y	z
x	2.949	0.100	0.000
y	0.100	4.048	0.000
z	0.000	0.000	2.931

<r²>	52.290
(<r²>)^1/2	7.231

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

using model chemistry: M06-2X/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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