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	hartrees
Energy at 0K	-166.461582
Energy at 298.15K
HF Energy	-166.461582
Nuclear repulsion energy	49.448671

	hartrees
Energy at 0K	-166.464810
Energy at 298.15K	-166.466331
HF Energy	-166.464810
Nuclear repulsion energy	49.160354

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	4011	3856	30.02
2	A	753	724	3.30
3	A	585	562	77.51
4	A	319	307	35.14
5	A	217	209	107.56
6	B	4009	3854	163.94
7	B	1568	1507	314.13
8	B	576	554	327.74
9	B	316	304	73.99

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.017
O2	0.000	1.421	-0.054
O3	0.000	-1.421	-0.054
H4	0.546	2.003	0.466
H5	-0.546	-2.003	0.466

	Be1	O2	O3	H4	H5
Be1		1.4216	1.4216	2.1315	2.1315
O2	1.4216		2.8421	0.9522	3.5062
O3	1.4216	2.8421		3.5062	0.9522
H4	2.1315	0.9522	3.5062		4.1523
H5	2.1315	3.5062	0.9522	4.1523

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

using model chemistry: B3PW91/6-31G(2df,p)

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	126.644		Be1	O3	H5	126.644
O2	Be1	O3	176.999

Number	Element	Mulliken
1	Be	-0.106
2	O	-0.262
3	O	-0.262
4	H	0.315
5	H	0.315

	x	y	z	Total
	0.000	0.000	1.681	1.681
CHELPG
AIM
ESP

	x	y	z
x	2.488	0.152	0.000
y	0.152	3.579	0.000
z	0.000	0.000	2.482

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

using model chemistry: B3PW91/6-31G(2df,p)

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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