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)	321.00	29.00	kJ mol-1	JANAF
Hfg(0K)	319.00	29.00	kJ mol-1	JANAF
Entropy (298.15K)	176.82		J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	8.65		kJ mol-1	JANAF
Heat Capacity (298.15K)	29.24		J K-1 mol-1	webbook

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
1	Σ	2061	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
2061.235	37.32666	0.084	10.31992	0.3084176	1022.232	2007Iri:389

vibrational zero-point energy: 1030.6 cm^-1
Calculated vibrational frequencies for BeH^- (berylium monohydride anion).

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

A	B	C	reference	comment
	10.31992		2007Iri:389

Calculated rotational constants for BeH^- (berylium monohydride anion).

Product of moments of inertia
1.633504	amu Å2		2.712535E-40	gm cm2

Geometric Data

Point Group C_∞v

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
rBeH	1.343		1	2			1979HUB/HER

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Be1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	1.3426

Atom - Atom Distances
Distances in Å

	Be1	H2
Be1		1.3426
H2	1.3426

Calculated geometries for BeH^- (berylium monohydride anion).

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

Bond Type	Count
H-Be	1

Connectivity

Atom 1	Atom 2
Be1	H2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	2	1979HUB/HER	2Σ
20033.19	4	1979HUB/HER
50882	4	1979HUB/HER

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
8.210				0.700	0.100	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for BeH^- (berylium monohydride anion).
Electric quadrupole moment
Calculated electric quadrupole moments for BeH^- (berylium monohydride anion).

References
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squib	reference	DOI
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

Got a better number? Please email us at cccbdb@nist.gov