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)	-790.83	7.80	kJ mol-1	Gurvich
Hfg(0K)	-789.08	7.80	kJ mol-1	Gurvich
Entropy (298.15K)	274.39		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
1	A1	490	Gurvich
2	A1	120	Gurvich
3	B2	575	Gurvich

vibrational zero-point energy: 592.5 cm^-1
Calculated vibrational frequencies for CaF₂ (Calcium difluoride).

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

A	B	C	reference	comment

Calculated rotational constants for CaF₂ (Calcium difluoride).

Product of moments of inertia
	amu3Å6		0	gm3 cm6

Geometric Data

Point Group C_2v

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 CaF₂ (Calcium difluoride).

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

Bond Type	Count
Ca-F	2

Connectivity

Atom 1	Atom 2
Ca1	F2
Ca1	F3

Electronic energy levels (cm^-1)

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

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for CaF₂ (Calcium difluoride).
Electric quadrupole moment
Calculated electric quadrupole moments for CaF₂ (Calcium difluoride).

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

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