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	hartrees
Energy at 0K	-166.531432
Energy at 298.15K	-166.532855
HF Energy	-166.531432
Nuclear repulsion energy	49.089261

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4026	3859	25.90
2	A	745	714	1.72
3	A	534	512	96.44
4	A	318	305	33.26
5	A	194	186	128.12
6	B	4025	3858	200.87
7	B	1538	1474	430.32
8	B	530	508	330.85
9	B	311	298	71.80

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.001
O2	0.000	1.422	-0.051
O3	0.000	-1.422	-0.051
H4	0.529	2.062	0.409
H5	-0.529	-2.062	0.409

	Be1	O2	O3	H4	H5
Be1		1.4230	1.4230	2.1677	2.1677
O2	1.4230		2.8442	0.9491	3.5536
O3	1.4230	2.8442		3.5536	0.9491
H4	2.1677	0.9491	3.5536		4.2569
H5	2.1677	3.5536	0.9491	4.2569

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.038		Be1	O3	H5	131.038
O2	Be1	O3	176.024

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

using model chemistry: B1B95/aug-cc-pVTZ

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	0.541
2	O	-0.408
3	O	-0.408
4	H	0.137
5	H	0.137

	x	y	z	Total
	0.000	0.000	1.566	1.566
CHELPG
AIM
ESP

	x	y	z
x	3.132	0.055	0.000
y	0.055	4.170	0.000
z	0.000	0.000	3.126

<r²>	51.566
(<r²>)^1/2	7.181

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

using model chemistry: B1B95/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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