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	hartrees
Energy at 0K	-166.607762
Energy at 298.15K	-166.609181
HF Energy	-166.607762
Nuclear repulsion energy	48.979638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3974	3845	23.73
2	A	745	721	1.45
3	A	531	513	94.79
4	A	321	311	26.82
5	A	190	184	135.63
6	B	3973	3843	198.38
7	B	1535	1485	429.95
8	B	527	510	329.76
9	B	314	304	69.40

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.001
O2	0.000	1.424	-0.050
O3	0.000	-1.424	-0.050
H4	0.529	2.076	0.401
H5	-0.529	-2.076	0.401

	Be1	O2	O3	H4	H5
Be1		1.4251	1.4251	2.1790	2.1790
O2	1.4251		2.8483	0.9529	3.5683
O3	1.4251	2.8483		3.5683	0.9529
H4	2.1790	0.9529	3.5683		4.2840
H5	2.1790	3.5683	0.9529	4.2840

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	131.767		Be1	O3	H5	131.767
O2	Be1	O3	175.848

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

using model chemistry: B3LYPultrafine/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	0.451
2	O	-0.332
3	O	-0.332
4	H	0.106
5	H	0.106

	x	y	z	Total
	0.000	0.000	1.550	1.550
CHELPG
AIM
ESP

	x	y	z
x	3.211	0.057	0.000
y	0.057	4.302	0.000
z	0.000	0.000	3.206

<r²>	51.862
(<r²>)^1/2	7.202

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

using model chemistry: B3LYPultrafine/aug-cc-pVTZ

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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