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

Property	Value	Uncertainty	units	Reference	Comment
Entropy (298.15K)	295.83		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	13.28		kJ mol-1	Gurvich
Heat Capacity (298.15K)	53.78		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	409	webbook
2	A1	160	webbook
3	B2	352	webbook

vibrational zero-point energy: 460.5 cm^-1
Calculated vibrational frequencies for GeCl₂ (Germanium dichloride).

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

A	B	C	reference	comment

Calculated rotational constants for GeCl₂ (Germanium dichloride).

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
rClGe	2.186	0.005	1	2			Gurvich
aClGeCl	100.4	0.5	2	1	3		Gurvich

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Ge1	0.0000	0.0000	0.7208
Cl2	0.0000	1.6795	-0.6784
Cl3	0.0000	-1.6795	-0.6784

Atom - Atom Distances
Distances in Å

	Ge1	Cl2	Cl3
Ge1		2.1860	2.1860
Cl2	2.1860		3.3589
Cl3	2.1860	3.3589

Calculated geometries for GeCl₂ (Germanium dichloride).

Experimental Bond Angles (degrees) from cartesians

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
Cl2	Ge1	Cl3	100.400

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

Bond Type	Count
Cl-Ge	2

Connectivity

Atom 1	Atom 2
Ge1	Cl2
Ge1	Cl3

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1A1

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
10.200	0.050			2.559		webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for GeCl₂ (Germanium dichloride).
Electric quadrupole moment
Calculated electric quadrupole moments for GeCl₂ (Germanium dichloride).

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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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