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	hartrees
Energy at 0K	-166.321479
Energy at 298.15K	-166.322859
HF Energy	-165.725626
Nuclear repulsion energy	48.966374

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4032	3836	23.30
2	A	746	709	1.16
3	A	508	483	98.23
4	A	324	308	21.57
5	A	190	181	142.60
6	B	4029	3833	227.87
7	B	1532	1457	422.54
8	B	496	472	325.43
9	B	312	297	68.71

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.015
O2	0.000	1.425	-0.052
O3	0.000	-1.425	-0.052
H4	0.525	2.082	0.390
H5	-0.525	-2.082	0.390

	Be1	O2	O3	H4	H5
Be1		1.4267	1.4267	2.1797	2.1797
O2	1.4267		2.8503	0.9501	3.5737
O3	1.4267	2.8503		3.5737	0.9501
H4	2.1797	0.9501	3.5737		4.2942
H5	2.1797	3.5737	0.9501	4.2942

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.964		Be1	O3	H5	131.964
O2	Be1	O3	174.602

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

using model chemistry: MP2=FULL/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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for Be(OH)2 (Beryllium hydroxide)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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