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	hartrees
Energy at 0K
Energy at 298.15K	-0.223285
HF Energy	-0.223285
Nuclear repulsion energy	44.617165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	3947	3845	14.99
2	A₁	939	915	46.18
3	A₁	707	689	0.11
4	A₁	269	262	71.67
5	A₂	193i	188i	0.00
6	B₁	294	286	111.34
7	B₂	3946	3844	6.66
8	B₂	1430	1393	237.57
9	B₂	857	835	235.48

Atom	y (Å)	z (Å)
Be1	0.000	0.011
O2	1.489	0.093
O3	-1.489	0.093
H4	1.886	-0.762
H5	-1.886	-0.762

	Be1	O2	O3	H4	H5
Be1		1.4917	1.4917	2.0383	2.0383
O2	1.4917		2.9789	0.9424	3.4819
O3	1.4917	2.9789		3.4819	0.9424
H4	2.0383	0.9424	3.4819		3.7716
H5	2.0383	3.4819	0.9424	3.7716

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Be1	O2	H4	111.744		Be1	O3	H5	111.744
O2	Be1	O3	173.743

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

using model chemistry: PM3

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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You are here: Calculated > Energy > Optimized > Energy

	hartrees
Energy at 0K
Energy at 298.15K	-0.225044
HF Energy	-0.225044
Nuclear repulsion energy	44.657460

	hartrees
Energy at 0K
Energy at 298.15K	-0.177394
HF Energy	-0.177394
Nuclear repulsion energy	45.045848

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	Σ_g	4212	4102	0.00
2	Σ_g	779	759	0.00
3	Σ_u	4209	4099	256.07
4	Σ_u	1577	1536	845.26
5	Π_g	949i	925i	0.00
5	Π_g	949i	925i	0.00
6	Π_u	268	261	35.28
6	Π_u	268	261	35.28
7	Π_u	945i	920i	552.72
7	Π_u	945i	920i	552.72

	Be1	O2	O3	H4	H5
Be1		1.4187	1.4187	2.3339	2.3339
O2	1.4187		2.8373	0.9152	3.7526
O3	1.4187	2.8373		3.7526	0.9152
H4	2.3339	0.9152	3.7526		4.6678
H5	2.3339	3.7526	0.9152	4.6678

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

using model chemistry: PM3

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)