CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)		1.00	kJ mol^-1	2005Tar/Mil:2881
Hfg(0K)	226.94	1.00	kJ mol^-1	2005Tar/Mil:2881
Entropy (298.15K)	265.35		J K^-1 mol^-1	JANAF
Integrated Heat Capacity (0 to 298.15K)	11.39		kJ mol^-1	JANAF
Heat Capacity (298.15K)	46.25		J K^-1 mol^-1	JANAF

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	730		VEEL5					CCl₂ s-str
2	A₁	335		VEEL5					CCl₂ scissors
3	B₂	758		VEEL5					CCl₂ a-str

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCCl	1.711		1	2			2002Dem/Mar:3282	re
aClCCl	109.22		2	1	3		2002Dem/Mar:3282	equilibrium

Atom	y (Å)	z (Å)
C1	0.0000	0.8424
Cl2	1.3951	-0.1487
Cl3	-1.3951	-0.1487

	C1	Cl2	Cl3
C1		1.7113	1.7113
Cl2	1.7113		2.7902
Cl3	1.7113	2.7902

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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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	C_2v	True							C_2v	1	2

squib	reference	DOI
2002Dem/Mar:3282	J Demaison, L Margules, JML Martin, JE Boggs "Anharmonic force field, structure, and thermochemistry of CF2 and CCl2" Phys. Chem. Chem. Phys. 4(14) 3282-3288, 2002	10.1039/b202865d
2002Rie/Tsc:231	JC Rienstra-Kiracofe, GS Tschumper, HF Schaefer III, S Nandi, GB Ellison "Atomic and Molecular Electron Affinities: Photoelectron Experiments and Theoretical Computations" Chemical Reviews 2002, 102, 231-282	10.1021/cr990044u
2005Tar/Mil:2881	G Tarczay, TA Miller, G Czako, AG Csaszar "Accurate ab initio determination of spectroscopic and thermochemical properties of mono- and dichlorocarbenes" Phys. Chem. Chem. Phys. 2005, 7, 4881 and corrections	10.1039/b506790a
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.
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 - http://webbook.nist.gov/chemistry/

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Experimental data for CCl2 (dichloromethylene)

Experimental data for CCl₂ (dichloromethylene)