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State	Conformation	minimum conformation	conformer description	state description
1	1	no	C2V	¹A₁
1	2	yes	C2	¹A

	hartrees
Energy at 0K	-166.099770
Energy at 298.15K
HF Energy	-165.662687
Nuclear repulsion energy	48.640164

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A₁	4061	4061
2	A₁	737	737
3	A₁	537	537
4	A₁	301	301
5	A₂	214i	214i
6	B₁	407	407
7	B₂	4059	4059
8	B₂	1526	1526
9	B₂	375	375

Atom	y (Å)	z (Å)
Be1	0.000	0.009
O2	1.435	0.071
O3	-1.435	0.071
H4	2.124	-0.589
H5	-2.124	-0.589

	Be1	O2	O3	H4	H5
Be1		1.4361	1.4361	2.2064	2.2064
O2	1.4361		2.8695	0.9543	3.6194
O3	1.4361	2.8695		3.6194	0.9543
H4	2.2064	0.9543	3.6194		4.2480
H5	2.2064	3.6194	0.9543	4.2480

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

using model chemistry: QCISD(TQ)/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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	hartrees
Energy at 0K	-166.100657
Energy at 298.15K	-166.102077
HF Energy	-165.663264
Nuclear repulsion energy	48.601544

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A	4041	4041
2	A	731	731
3	A	523	523
4	A	346	346
5	A	184	184
6	B	4040	4040
7	B	1522	1522
8	B	529	529
9	B	319	319

Atom	x (Å)	y (Å)	z (Å)
Be1	0.000	0.000	-0.012
O2	0.000	1.438	-0.045
O3	0.000	-1.438	-0.045
H4	0.572	2.072	0.385
H5	-0.572	-2.072	0.385

	Be1	O2	O3	H4	H5
Be1		1.4385	1.4385	2.1855	2.1855
O2	1.4385		2.8763	0.9556	3.5821
O3	1.4385	2.8763		3.5821	0.9556
H4	2.1855	0.9556	3.5821		4.2984
H5	2.1855	3.5821	0.9556	4.2984

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	133.732		Be1	O3	H5	133.732
O2	Be1	O3	174.985

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	130.720		Be1	O3	H5	130.720
O2	Be1	O3	177.317

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

using model chemistry: QCISD(TQ)/6-31+G**

States and conformations

Conformer 1 (C2V)

Conformer 2 (C2)

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