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)	520.16	8.00	kJ mol-1	Gurvich
Hfg(0K)	517.86	8.00	kJ mol-1	Gurvich
Entropy (298.15K)	216.25	0.20	J K-1 mol-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	8.72		kJ mol-1	Gurvich
Heat Capacity (298.15K)	29.91		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	Σ	1240	2007Iri:389

Detailed diatomic data

ωe	ωexe	ωeye	Be	αe	ZPE	reference
1239.799	6.833769	-0.0013769	0.7988678	5.96933E-03	618.2003	2007Iri:389

vibrational zero-point energy: 619.9 cm^-1
Calculated vibrational frequencies for CP^- (carbon monophosphide anion).

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

A	B	C	reference	comment
	0.79887		2007Iri:389

Calculated rotational constants for CP^- (carbon monophosphide anion).

Product of moments of inertia
21.1019	amu Å2		3.504108E-39	gm cm2

Geometric Data

Point Group C_∞v

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
rCP	1.562		1	2			1979HUB/HER

Cartesians

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
P2	0.0000	0.0000	1.5622

Atom - Atom Distances
Distances in Å

	C1	P2
C1		1.5622
P2	1.5622

Calculated geometries for CP^- (carbon monophosphide anion).

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

Bond Type	Count
C#P	1

Connectivity

Atom 1	Atom 2
C1	P2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	2	1979HUB/HER	2Σ
6894.9	1	1979HUB/HER
7053.2	1	1979HUB/HER

Ionization Energies (eV)

Ionization Energy	I.E. unc.	vertical I.E.	v.I.E. unc.	Electron Affinity	E.A. unc.	reference
10.500	0.500					webbook

Dipole, Quadrupole and Polarizability
Electric dipole moment
Calculated electric dipole moments for CP^- (carbon monophosphide anion).
Electric quadrupole moment
Calculated electric quadrupole moments for CP^- (carbon monophosphide anion).

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
1979HUB/HER	Huber, K.P.; Herzberg, G., Molecular Spectra and Molecular Structure. IV. Constants of Diatomic Molecules,, Van Nostrand Reinhold Co., 1979
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
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