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	hartrees
Energy at 0K	-166.478692
Energy at 298.15K
HF Energy	-166.478692
Nuclear repulsion energy	49.439196

	hartrees
Energy at 0K	-166.482308
Energy at 298.15K	-166.483826
HF Energy	-166.482308
Nuclear repulsion energy	49.146503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4071	4071	30.85
2	A	750	750	3.37
3	A	574	574	83.08
4	A	321	321	43.48
5	A	225	225	113.27
6	B	4069	4069	175.86
7	B	1563	1563	335.73
8	B	567	567	338.57
9	B	314	314	78.10

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.020
O2	0.000	1.422	-0.051
O3	0.000	-1.422	-0.051
H4	0.545	2.016	0.450
H5	-0.545	-2.016	0.450

	Be1	O2	O3	H4	H5
Be1		1.4224	1.4224	2.1407	2.1407
O2	1.4224		2.8441	0.9495	3.5171
O3	1.4224	2.8441		3.5171	0.9495
H4	2.1407	0.9495	3.5171		4.1769
H5	2.1407	3.5171	0.9495	4.1769

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

using model chemistry: wB97X-D/6-31G(2df,p)

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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	127.856		Be1	O3	H5	127.856
O2	Be1	O3	177.433

Number	Element	Mulliken
1	Be	-0.079
2	O	-0.280
3	O	-0.280
4	H	0.319
5	H	0.319

	x	y	z	Total
	0.000	0.000	1.654	1.654
CHELPG
AIM
ESP

	x	y	z
x	2.439	0.152	0.000
y	0.152	3.472	0.000
z	0.000	0.000	2.428

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

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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