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	hartrees
Energy at 0K	-166.540768
Energy at 298.15K	-166.542120
HF Energy	-166.540768
Nuclear repulsion energy	48.409835

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3918	3790	17.91
2	A	706	683	1.06
3	A	574	555	75.58
4	A	273	264	20.32
5	A	204	197	140.95
6	B	3916	3788	154.46
7	B	1483	1435	383.45
8	B	572	553	317.58
9	B	257	249	59.05

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.020
O2	0.000	1.444	-0.057
O3	0.000	-1.444	-0.057
H4	0.573	2.050	0.419
H5	-0.573	-2.050	0.419

	Be1	O2	O3	H4	H5
Be1		1.4463	1.4463	2.1655	2.1655
O2	1.4463		2.8885	0.9601	3.5726
O3	1.4463	2.8885		3.5726	0.9601
H4	2.1655	0.9601	3.5726		4.2566
H5	2.1655	3.5726	0.9601	4.2566

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	127.116		Be1	O3	H5	127.116
O2	Be1	O3	173.902

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

using model chemistry: TPSSh/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	-0.082
2	O	-0.087
3	O	-0.087
4	H	0.128
5	H	0.128

	x	y	z	Total
	0.000	0.000	1.652	1.652
CHELPG
AIM
ESP

	x	y	z
x	3.242	0.067	0.000
y	0.067	4.425	0.000
z	0.000	0.000	3.239

<r²>	52.809
(<r²>)^1/2	7.267

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

using model chemistry: TPSSh/aug-cc-pVDZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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