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	hartrees
Energy at 0K	-166.350364
Energy at 298.15K	-166.351704
HF Energy	-166.350364
Nuclear repulsion energy	48.249148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3853	3830	18.64
2	A	699	694	0.72
3	A	564	560	75.59
4	A	272	271	12.21
5	A	206	205	125.56
6	B	3852	3828	152.38
7	B	1468	1459	367.08
8	B	558	554	294.10
9	B	260	259	52.57

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.026
O2	0.000	1.448	-0.062
O3	0.000	-1.448	-0.062
H4	0.557	2.055	0.441
H5	-0.557	-2.055	0.441

	Be1	O2	O3	H4	H5
Be1		1.4507	1.4507	2.1695	2.1695
O2	1.4507		2.8961	0.9653	3.5828
O3	1.4507	2.8961		3.5828	0.9653
H4	2.1695	0.9653	3.5828		4.2590
H5	2.1695	3.5828	0.9653	4.2590

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	126.609		Be1	O3	H5	126.609
O2	Be1	O3	173.049

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

using model chemistry: PBEPBEultrafine/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	-0.062
2	O	-0.079
3	O	-0.079
4	H	0.111
5	H	0.111

	x	y	z	Total
	0.000	0.000	1.714	1.714
CHELPG
AIM
ESP

	x	y	z
x	3.415	0.057	0.000
y	0.057	4.731	0.000
z	0.000	0.000	3.420

<r²>	53.166
(<r²>)^1/2	7.291

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

using model chemistry: PBEPBEultrafine/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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