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)	-261.92		kJ mol-1	webbook
Hfg(0K)			kJ mol-1	webbook
Entropy (298.15K)	264.41		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	A'	2993	1950Ply/Lam:204
2	A'	1468
3	A'	1351
4	A'	1068
5	A'	760
6	A'	385
7	A"	3048
8	A"	1236
9	A"	1000

vibrational zero-point energy: 6654.5 cm^-1
Calculated vibrational frequencies for CH₂FCl (fluorochloromethane).

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

A	B	C	reference	comment
1.39467	0.19066	0.17328	1995Bla/Les:397

Calculated rotational constants for CH₂FCl (fluorochloromethane).

Product of moments of inertia
103966.1	amu3Å6		4.76057796457406E-115	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	1.090	0.010	1	4			1995Bla/Les:397	rs
rCCl	1.762	0.000	1	3			1995Bla/Les:397	rs
rCF	1.370	0.001	1	2			1995Bla/Les:397	rs
aHCH	110.4	50	4	1	5		1995Bla/Les:397
aFCCl	110.1	0.5	2	1	3		1995Bla/Les:397
aHCCl	109.4	3	3	1	4		1995Bla/Les:397

Cartesians

Atom	x (Å)	y (Å)	z (Å)
C1	-0.5491	-0.6332	0.0000
F2	-1.5160	0.3370	0.0000
Cl3	1.0506	0.1057	0.0000
H4	-0.6700	-1.2428	0.8935
H5	-0.6700	-1.2428	-0.8935

Atom - Atom Distances
Distances in Å

	C1	F2	Cl3	H4	H5
C1		1.3698	1.7621	1.0884	1.0884
F2	1.3698		2.5770	2.0025	2.0025
Cl3	1.7621	2.5770		2.3616	2.3616
H4	1.0884	2.0025	2.3616		1.7870
H5	1.0884	2.0025	2.3616	1.7870

Calculated geometries for CH₂FCl (fluorochloromethane).

Experimental Bond Angles (degrees) from cartesians

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	C1	Cl3	110.109		F2	C1	H4	108.560
F2	C1	H5	108.560		Cl3	C1	H4	109.615
Cl3	C1	H5	109.615		H4	C1	H5	110.363

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

Bond Type	Count
H_C	2
C-F	1
C-Cl	1

Connectivity

Atom 1	Atom 2
C1	F2
C1	Cl3
C1	H4
C1	H5

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	1		1A'

Ionization Energies (eV)

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

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for CH₂FCl (fluorochloromethane).
Electric quadrupole moment
Calculated electric quadrupole moments for CH₂FCl (fluorochloromethane).

References
By selecting the following links, you may be leaving NIST webspace. We have provided these links to other web sites because they may have information that would be of interest to you. No inferences should be drawn on account of other sites being referenced, or not, from this page. There may be other web sites that are more appropriate for your purpose. NIST does not necessarily endorse the views expressed, or concur with the facts presented on these sites. Further, NIST does not endorse any commercial products that may be mentioned on these sites. Please address comments about this page to cccbdb@nist.gov.

squib	reference	DOI
1950Ply/Lam:204	EK Plyler, MA Lamb "Infrared Spectrum of Chlorofluoromethane" J. Research of the National Bureau of Standards 45(3) 1950 204-208
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)

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