Enthalpy of formation (Hfg), Entropy, Integrated heat capacity (0 K to 298.15 K) (HH), Heat Capacity (Cp)

Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-99.73	40.00	kJ mol-1	Gurvich
Hfg(0K)	-100.00	40.00	kJ mol-1	Gurvich
Entropy (298.15K)	217.05		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	10.80		kJ mol-1	Gurvich
Heat Capacity (298.15K)	43.64		J K-1 mol-1	Gurvich

Information can also be found for this species in the NIST Chemistry Webbook

Vibrational levels (cm^-1)

Mode Number	Symmetry	Frequency (cm-1)	Frequency Reference	Intensity (km mol-1)	Int. unc.	Intensity Reference	Comment
2	A'	1246	Shim

Calculated vibrational frequencies for BeOH (beryllium hydroxide).

Rotational Constants (cm^-1)
See section I.F.4 to change rotational constant units

A	B	C	reference	comment

Calculated rotational constants for BeOH (beryllium hydroxide).

Product of moments of inertia
	amu3Å6		0	gm3 cm6

Geometric Data

Point Group C_s

Internal coordinates
distances (r) in Å, angles (a) in degrees, dihedrals (d) in degrees

Description	Value	unc.	Connectivity				Reference	Comment
			Atom 1	Atom 2	Atom 3	Atom 4

Cartesians

Atom	x (Å)	y (Å)	z (Å)

Atom - Atom Distances
Distances in Å
Calculated geometries for BeOH (beryllium hydroxide).

Bond descriptions
Examples: C-C single bond, C=C, double bond, C#C triple bond, C:C aromatic bond

Bond Type	Count
H-O	1
Be-O	1

Connectivity

Atom 1	Atom 2
O1	Be2
O1	H3

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		2A'

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for BeOH (beryllium hydroxide).
Electric quadrupole moment
Calculated electric quadrupole moments for BeOH (beryllium hydroxide).

References
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squib	reference	DOI
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989	10.1351/pac198961061027
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volume 1, NSRDS NBS-39

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