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II.A.1. (XV.A.)

Listing of experimental data for HCF (Fluoromethylene)

Other names
InChI=1/CHF/c1-2/h1H [CH]F
State Conformation
1A' CS
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) enthalpy of formation 105.29 25.00 kJ mol-1 Gurvich
Hfg(0K) enthalpy of formation 105.00 25.00 kJ mol-1 Gurvich
Entropy (298.15K) entropy 234.87   J K-1 mol-1 Gurvich
Integrated Heat Capacity (0 to 298.15K) integrated heat capacity 9.98   kJ mol-1 Gurvich
Heat Capacity (298.15K) heat capacity 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) vibrations
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) rotational constants
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 moments of inertia
224.0811amu3Å6   1.02606087514453E-117gm3 cm6

Geometric Data
picture of Fluoromethylene

Point Group Cs

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

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 bond lengths
Distances in Å
  H1 C2 F3
H1   1.13801.9292
C2 1.1380   1.3050
F3 1.92921.3050  

Calculated geometries for HCF (Fluoromethylene).

Experimental Bond Angles (degrees) from cartesians bond angles
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

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. reference
10.060 0.050     webbook

Electron Affinity (eV)
Electron Affinity unc. reference
0.542 0.005 webbook

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

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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 -  
webbook NIST Chemistry Webbook (  

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