CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	-95.60	1.00	kJ mol^-1	Gurvich
Hfg(0K)	-93.35	1.00	kJ mol^-1	Gurvich
Entropy (298.15K)	309.46		J K^-1 mol^-1	Gurvich
Integrated Heat Capacity (0 to 298.15K)	17.16		kJ mol^-1	Gurvich
Heat Capacity (298.15K)	82.89		J K^-1 mol^-1	Gurvich

Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
1	A₁	459		Shim					sym stretch
2	E	217		Shim					deg. deform
3	T₂	776		Shim					deg. stretch
4	T₂	314		Shim					deg. deform

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCCl	1.767	0.003	1	2			1998Kuc
aClCCl	109.4712		2	1	3			from symmetry

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
Cl2	1.0202	1.0202	1.0202
Cl3	-1.0202	-1.0202	1.0202
Cl4	-1.0202	1.0202	-1.0202
Cl5	1.0202	-1.0202	-1.0202

	C1	Cl2	Cl3	Cl4	Cl5
C1		1.7670	1.7670	1.7670	1.7670
Cl2	1.7670		2.8855	2.8855	2.8855
Cl3	1.7670	2.8855		2.8855	2.8855
Cl4	1.7670	2.8855	2.8855		2.8855
Cl5	1.7670	2.8855	2.8855	2.8855

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl2	C1	Cl3	109.471	Cl2	C1	Cl4	109.471
Cl2	C1	Cl5	109.471	Cl3	C1	Cl4	109.471
Cl3	C1	Cl5	109.471	Cl4	C1	Cl5	109.471

State	Config	State description	Conf description	Exp. min.	Dipole (Debye)				Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	x	y	z	total	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A₁	T_d	True				0.000	NSRDS-NBS10		T_d	0	0

squib	reference	DOI
1984Yam/Tak:3800	Yamamoto, S.; Takami, M.; Kuchitsu, K. "Diode laser spectroscopy of the (nu)3 band of carbon tetrachloride (C35Cl4) Stark modulation and cold jet infrared absorption spectrum." Journal of Chemical Physics. 81, 3800-3804 (1984)	10.1063/1.448181
1997Oln/Can:59	TN Olney, NM Cann, G Cooper, CE Brion, Absolute scale determination for photoabsorption spectra and the calculation of molecular properties using dipole sum-rules, Chem. Phys. 223 (1997) 59-98	10.1016/S0301-0104(97)00145-6
1998Kuc	K Kuchitsu(ed) "Structure of Free Polyatomic Molecules - Basic Data" Springer, Berlin, 1998	10.1007/978-3-642-45748-7
Gurvich	Gurvich, L.V.; Veyts, I. V.; Alcock, C. B., Thermodynamic Properties of Individual Substances, Fouth Edition, Hemisphere Pub. Co., New York, 1989
NSRDS-NBS10	R. D. Nelson Jr., D. R. Lide, A. A. Maryott "Selected Values of electric dipole moments for molecules in the gas phase" NSRDS-NBS10, 1967	10.6028/NBS.NSRDS.10
Shim	Shimanouchi, T. , Tables of Molecular Vibrational Frequencies, Consolidated Volu	10.6028/NBS.NSRDS.39
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for CCl4 (Carbon tetrachloride)

Experimental data for CCl₄ (Carbon tetrachloride)