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)	105.29	25.00	kJ mol-1	Gurvich
Hfg(0K)	105.00	25.00	kJ mol-1	Gurvich
Entropy (298.15K)	234.87		J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	9.98		kJ mol-1	Gurvich
Heat Capacity (298.15K)	34.60		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	A'	2643	VEEL5
2	A'	1403	VEEL5
3	A'	1189	VEEL5

vibrational zero-point energy: 2617.6 cm^-1
Calculated vibrational frequencies for HCF (Fluoromethylene).

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

A	B	C	reference	comment
15.55000	1.22100	1.12600	1966Herzberg

Calculated rotational constants for HCF (Fluoromethylene).

Product of moments of inertia
224.0811	amu3Å6		1.02606087514453E-117	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
rCH	1.138		1	2			1998Kuc
rCF	1.305		2	3			1998Kuc
aHCF	104.1		1	2	3		1998Kuc

Cartesians

Atom	x (Å)	y (Å)	z (Å)
H1	-1.0347	0.9940	0.0000
C2	0.0690	0.7167	0.0000
F3	0.0690	-0.5883	0.0000

Atom - Atom Distances
Distances in Å

	H1	C2	F3
H1		1.1380	1.9292
C2	1.1380		1.3050
F3	1.9292	1.3050

Calculated geometries for HCF (Fluoromethylene).

Experimental Bond Angles (degrees) from cartesians

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
H1	C2	F3	104.100

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

Bond Type	Count
H-C	1
C-F	1

Connectivity

Atom 1	Atom 2
H1	C2
C2	F3

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1A'
5210	3	VEEL5	3A"
17277.47	1	VEEL5

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
10.060	0.050			0.542	0.005	webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for HCF (Fluoromethylene).
Electric quadrupole moment
Calculated electric quadrupole moments for HCF (Fluoromethylene).

References
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squib	reference	DOI
1966Herzberg	Herzberg, G., Electronic spectra and electronic structure of polyatomic molecules,Van Nostrand,New York, 1966
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998
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
VEEL5	M.E. Jacox, Vibrational and Electronic Energy Levels of Polyatomic Transient Molecules, J. Phys. Chem.Ref. Data, Monograph 3 (1994) (updated data in NIST Chemistry Webbook - http://webbook.nist.gov/chemistry/
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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