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	hartrees
Energy at 0K	-166.494258
Energy at 298.15K	-166.495552
HF Energy	-166.494258
Nuclear repulsion energy	48.554044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4039	3867	23.95
2	A	717	686	0.54
3	A	545	522	89.04
4	A	279	267	36.49
5	A	176	169	142.93
6	B	4037	3865	192.42
7	B	1515	1451	427.85
8	B	542	519	328.21
9	B	264	253	67.24

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.011
O2	0.000	1.441	-0.054
O3	0.000	-1.441	-0.054
H4	0.551	2.067	0.407
H5	-0.551	-2.067	0.407

	Be1	O2	O3	H4	H5
Be1		1.4423	1.4423	2.1755	2.1755
O2	1.4423		2.8817	0.9529	3.5805
O3	1.4423	2.8817		3.5805	0.9529
H4	2.1755	0.9529	3.5805		4.2781
H5	2.1755	3.5805	0.9529	4.2781

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	129.398		Be1	O3	H5	129.398
O2	Be1	O3	174.900

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

using model chemistry: wB97X-D/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	-0.001
2	O	-0.104
3	O	-0.104
4	H	0.105
5	H	0.105

	x	y	z	Total
	0.000	0.000	1.644	1.644
CHELPG
AIM
ESP

	x	y	z
x	3.073	0.065	0.000
y	0.065	4.151	0.000
z	0.000	0.000	3.068

<r²>	52.664
(<r²>)^1/2	7.257

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

using model chemistry: wB97X-D/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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