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	hartrees
Energy at 0K	-165.738095
Energy at 298.15K	-165.739538
HF Energy	-165.738095
Nuclear repulsion energy	49.502994

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4289	3897	33.56
2	A	778	706	2.51
3	A	548	498	128.67
4	A	334	304	51.58
5	A	167	152	156.04
6	B	4287	3895	251.39
7	B	1595	1449	481.98
8	B	545	495	389.23
9	B	322	292	90.18

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.012
O2	0.000	1.413	-0.045
O3	0.000	-1.413	-0.045
H4	0.513	2.062	0.385
H5	-0.513	-2.062	0.385

	Be1	O2	O3	H4	H5
Be1		1.4133	1.4133	2.1617	2.1617
O2	1.4133		2.8258	0.9326	3.5388
O3	1.4133	2.8258		3.5388	0.9326
H4	2.1617	0.9326	3.5388		4.2497
H5	2.1617	3.5388	0.9326	4.2497

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	133.237		Be1	O3	H5	133.237
O2	Be1	O3	177.339

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

using model chemistry: HF/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	1.191
2	O	-0.907
3	O	-0.907
4	H	0.311
5	H	0.311

	x	y	z	Total
	0.000	0.000	1.559	1.559
CHELPG
AIM
ESP

	x	y	z
x	2.680	0.069	0.000
y	0.069	3.403	0.000
z	0.000	0.000	2.670

<r²>	50.936
(<r²>)^1/2	7.137

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

using model chemistry: HF/aug-cc-pVQZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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