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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
1	2	yes	C2	¹A

	hartrees
Energy at 0K	-166.278983
Energy at 298.15K
HF Energy	-165.719702
Nuclear repulsion energy	48.922392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	4037	3850
2	A₁	745	711
3	A₁	518	494
4	A₁	285	272
5	A₂	196i	187i
6	B₁	328	313
7	B₂	4036	3849
8	B₂	1530	1459
9	B₂	417	398

Atom	y (Å)	z (Å)
Be1	0.000	-0.022
O2	1.425	0.077
O3	-1.425	0.077
H4	2.118	-0.573
H5	-2.118	-0.573

	Be1	O2	O3	H4	H5
Be1		1.4280	1.4280	2.1884	2.1884
O2	1.4280		2.8492	0.9504	3.6016
O3	1.4280	2.8492		3.6016	0.9504
H4	2.1884	0.9504	3.6016		4.2357
H5	2.1884	3.6016	0.9504	4.2357

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

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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	hartrees
Energy at 0K	-166.279618
Energy at 298.15K	-166.280912
HF Energy	-165.720300
Nuclear repulsion energy	48.887626

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4023	3836
2	A	740	706
3	A	509	486
4	A	297	283
5	A	177	169
6	B	4021	3835
7	B	1528	1457
8	B	499	476
9	B	286	272

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.010
O2	0.000	1.428	-0.053
O3	0.000	-1.428	-0.053
H4	0.537	2.067	0.404
H5	-0.537	-2.067	0.404

	Be1	O2	O3	H4	H5
Be1		1.4299	1.4299	2.1715	2.1715
O2	1.4299		2.8569	0.9513	3.5658
O3	1.4299	2.8569		3.5658	0.9513
H4	2.1715	0.9513	3.5658		4.2710
H5	2.1715	3.5658	0.9513	4.2710

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	132.869		Be1	O3	H5	132.869
O2	Be1	O3	172.058

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.473		Be1	O3	H5	130.473
O2	Be1	O3	174.904

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

using model chemistry: QCISD(T)/6-311+G(3df,2p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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