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	hartrees
Energy at 0K	-166.521374
Energy at 298.15K
HF Energy	-166.521374
Nuclear repulsion energy	49.177264

	hartrees
Energy at 0K	-166.523914
Energy at 298.15K	-166.525310
HF Energy	-166.523914
Nuclear repulsion energy	48.685179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3979	3830	24.11
2	A	725	698	1.63
3	A	516	497	126.00
4	A	323	311	35.46
5	A	203	196	172.69
6	B	3978	3829	190.75
7	B	1510	1453	429.70
8	B	520	501	363.72
9	B	308	297	103.08

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.009
O2	0.000	1.433	-0.047
O3	0.000	-1.433	-0.047
H4	0.542	2.087	0.395
H5	-0.542	-2.087	0.395

	Be1	O2	O3	H4	H5
Be1		1.4339	1.4339	2.1942	2.1942
O2	1.4339		2.8667	0.9577	3.5895
O3	1.4339	2.8667		3.5895	0.9577
H4	2.1942	0.9577	3.5895		4.3132
H5	2.1942	3.5895	0.9577	4.3132

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

using model chemistry: TPSSh/6-31+G**

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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atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	132.100		Be1	O3	H5	132.100
O2	Be1	O3	176.987

Number	Element	Mulliken
1	Be	0.987
2	O	-0.862
3	O	-0.862
4	H	0.368
5	H	0.368

	x	y	z	Total
	0.000	0.000	1.680	1.680
CHELPG
AIM
ESP

	x	y	z
x	2.467	0.024	0.000
y	0.024	4.282	0.000
z	0.000	0.000	2.477

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

using model chemistry: TPSSh/6-31+G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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