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)	306.27	41.80	kJ mol-1	JANAF
Hfg(0K)	305.87	41.80	kJ mol-1	JANAF
Entropy (298.15K)	234.62		J K-1 mol-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	-9.75		kJ mol-1	JANAF
Heat Capacity (298.15K)	35.69		J K-1 mol-1	JANAF

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

vibrational zero-point energy: 320.1 cm^-1
Calculated vibrational frequencies for CuO (Copper Monoxide).

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

A	B	C	reference	comment
	0.44454	0.44454	1979HUB/HER	Be

Calculated rotational constants for CuO (Copper Monoxide).

Product of moments of inertia
37.92152	amu Å2		6.297114E-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
rCuO	1.724	0.000	1	2			1979HUB/HER	re

Cartesians

Atom	x (Å)	y (Å)	z (Å)
Cu1	0.0000	0.0000	0.0000
O2	0.0000	0.0000	1.7243

Atom - Atom Distances
Distances in Å

	Cu1	O2
Cu1		1.7243
O2	1.7243

Calculated geometries for CuO (Copper Monoxide).

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

Bond Type	Count
O=Cu	1

Connectivity

Atom 1	Atom 2
Cu1	O2

Electronic energy levels (cm^-1)

Energy (cm-1)	Degeneracy	reference	description
0	2	1979HUB/HER
279.02	2	1979HUB/HER
16491	2	1979HUB/HER

Dipole, Quadrupole and Polarizability
Electric dipole moment

Dipole (Debye)	Reference	comment
4.500	1992LBII/19c	+-0.5

Calculated electric dipole moments for CuO (Copper Monoxide).
Electric quadrupole moment
Calculated electric quadrupole moments for CuO (Copper Monoxide).

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
1992LBII/19c	Landolt-Bornstein Numerical Data and Functional Relationships in Science and Technology, New Series, II/19c (1992) Spreinger-Verlag, Heidelberg
JANAF	Chase, M.W., Jr.; Davies, C.A.; Downey, J.R., Jr.; Frurip, D.J.; McDonald, R.A.; Syverud, A.N., JANAF Thermochemical Tables (Third Edition), J. Phys. Chem. Ref. Data,Suppl. 1, 1985, 14, 1.

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