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)	123.01		kJ mol-1	webbook
Hfg(0K)			kJ mol-1	webbook
Entropy (298.15K)	198.02		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	984	webbook				omega e

vibrational zero-point energy: 491.8 cm^-1
Calculated vibrational frequencies for KH (Potassium hydride).

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

A	B	C	reference	comment
	3.41230		webbook

Calculated rotational constants for KH (Potassium hydride).

Product of moments of inertia
4.940255	amu Å2		8.203608E-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
rHK	2.243	0.001	1	2			webbook	re

Cartesians

Atom	x (Å)	y (Å)	z (Å)
K1	0.0000	0.0000	0.0000
H2	0.0000	0.0000	2.2425

Atom - Atom Distances
Distances in Å

	K1	H2
K1		2.2425
H2	2.2425

Calculated geometries for KH (Potassium hydride).

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

Bond Type	Count
H-K	1

Connectivity

Atom 1	Atom 2
K1	H2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1Σ

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
8.000	1.000					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for KH (Potassium hydride).
Electric quadrupole moment
Calculated electric quadrupole moments for KH (Potassium hydride).

References
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squib	reference	DOI
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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