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	hartrees
Energy at 0K	-165.726412
Energy at 298.15K	-165.727877
HF Energy	-165.726412
Nuclear repulsion energy	49.431471

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4280	3897	34.37
2	A	775	706	2.51
3	A	553	503	127.91
4	A	335	305	51.57
5	A	173	157	153.51
6	B	4278	3894	246.60
7	B	1596	1453	479.08
8	B	550	500	384.88
9	B	324	295	91.12

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.013
O2	0.000	1.415	-0.046
O3	0.000	-1.415	-0.046
H4	0.516	2.059	0.392
H5	-0.516	-2.059	0.392

	Be1	O2	O3	H4	H5
Be1		1.4156	1.4156	2.1609	2.1609
O2	1.4156		2.8304	0.9339	3.5396
O3	1.4156	2.8304		3.5396	0.9339
H4	2.1609	0.9339	3.5396		4.2454
H5	2.1609	3.5396	0.9339	4.2454

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	132.708		Be1	O3	H5	132.708
O2	Be1	O3	177.300

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

using model chemistry: HF/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	0.761
2	O	-0.511
3	O	-0.511
4	H	0.131
5	H	0.131

	x	y	z	Total
	0.000	0.000	1.585	1.585
CHELPG
AIM
ESP

	x	y	z
x	2.674	0.073	0.000
y	0.073	3.412	0.000
z	0.000	0.000	2.663

<r²>	51.070
(<r²>)^1/2	7.146

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

using model chemistry: HF/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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