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	hartrees
Energy at 0K	-166.279238
Energy at 298.15K
HF Energy	-166.188263
Nuclear repulsion energy	49.487922

	hartrees
Energy at 0K	-166.279432
Energy at 298.15K
HF Energy	-166.188600
Nuclear repulsion energy	49.407111

	hartrees
Energy at 0K	-166.279434
Energy at 298.15K	-166.279499
HF Energy	-166.188581
Nuclear repulsion energy	49.384783

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4089	4089	0.00
2	Σ_g	789	789	0.00
3	Σ_u	4087	4087	377.48
4	Σ_u	1684	1684	424.78
5	Π_g	82	82	0.00
5	Π_g	82	82	0.00
6	Π_u	395	395	69.70
6	Π_u	395	395	69.70
7	Π_u	98	98	535.94
7	Π_u	98	98	535.94

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	0.000
O2	0.000	0.000	1.400
O3	0.000	0.000	-1.400
H4	0.000	0.000	2.348
H5	0.000	0.000	-2.348

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

using model chemistry: B2PLYP/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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	Be1	O2	O3	H4	H5
Be1		1.4003	1.4003	2.3482	2.3482
O2	1.4003		2.8006	0.9479	3.7485
O3	1.4003	2.8006		3.7485	0.9479
H4	2.3482	0.9479	3.7485		4.6964
H5	2.3482	3.7485	0.9479	4.6964

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	180.000		Be1	O3	H5	180.000
O2	Be1	O3	180.000

Number	Element	Mulliken
1	Be	0.685
2	O	-0.743
3	O	-0.743
4	H	0.401
5	H	0.401

<r²>	50.790
(<r²>)^1/2	7.127

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

using model chemistry: B2PLYP/6-31G

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

Conformer 3 (D*H)

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