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	hartrees
Energy at 0K	-166.400493
Energy at 298.15K	-166.401934
HF Energy	-166.400493
Nuclear repulsion energy	48.643229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3871	3846	20.99
2	A	725	721	1.87
3	A	555	552	77.60
4	A	313	311	24.40
5	A	199	198	114.70
6	B	3869	3844	161.81
7	B	1497	1487	383.56
8	B	550	546	303.59
9	B	310	308	61.26

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.006
O2	0.000	1.435	-0.056
O3	0.000	-1.435	-0.056
H4	0.545	2.057	0.434
H5	-0.545	-2.057	0.434

	Be1	O2	O3	H4	H5
Be1		1.4360	1.4360	2.1707	2.1707
O2	1.4360		2.8693	0.9614	3.5678
O3	1.4360	2.8693		3.5678	0.9614
H4	2.1707	0.9614	3.5678		4.2561
H5	2.1707	3.5678	0.9614	4.2561

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	128.680		Be1	O3	H5	128.680
O2	Be1	O3	175.055

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

using model chemistry: PBEPBE/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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Number	Element	Mulliken
1	Be	0.436
2	O	-0.323
3	O	-0.323
4	H	0.105
5	H	0.105

	x	y	z	Total
	0.000	0.000	1.603	1.603
CHELPG
AIM
ESP

	x	y	z
x	3.473	0.043	0.000
y	0.043	4.660	0.000
z	0.000	0.000	3.475

<r²>	52.420
(<r²>)^1/2	7.240

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

using model chemistry: PBEPBE/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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