CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	-191.60	3.30	kJ mol^-1	1970COX/PIL
Hfg(0K)		3.30	kJ mol^-1	1970COX/PIL

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCH	1.112	0.003	4	7			1995Kuchitsu(II/23)
rCN	1.391	0.007	1	3			1995Kuchitsu(II/23)
rCN	1.453	0.004	3	4			1995Kuchitsu(II/23)
rCO	1.224	0.003	1	2			1995Kuchitsu(II/23)
aCNC	120.8	0.3	1	3	4		1995Kuchitsu(II/23)
aCNC	122.3	0.4	1	3	5		1995Kuchitsu(II/23)
aCNC	113.9	0.5	4	3	5		1995Kuchitsu(II/23)
aNCO	123.5	0.6	2	1	3		1995Kuchitsu(II/23)
aHCN	117	2.8	3	1	6		1995Kuchitsu(II/23)
dCNCO	-16.3	4.5	2	1	3	4	1995Kuchitsu(II/23)
dCNCO	-168.6	3.9	2	1	3	5	1995Kuchitsu(II/23)
aHCN	110.1	0.3	3	4	7		1995Kuchitsu(II/23)

Bond Type	Count
C-N	3
C=O	1
H-C	7

Atom 1	Atom 2
C1	O2
C1	N3
C1	H6
N3	C4
N3	C5
C4	H7
C4	H8
C4	H9
C5	H10
C5	H11
C5	H12

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	¹A^'	C_s	False				3.820	NSRDS-NBS10	DR	C_s	2	3
1	2	¹A	C₁	True							C₁	3	5
1	3	¹A^'	CS methyls geared	False							C_s	2	3

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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squib	reference	DOI
1970COX/PIL	J.D. Cox, G. Pilcher, "Thermochemistry of Organic and Organometallic Compounds" Academic Press, London, 1970	10.1002/bbpc.19700740727
1995Kuchitsu(II/23)	Kuchitsu (ed.), Landolt-Bornstein: Group II: Molecules and Radicals Volume 23: Structure Data for Free Polyatomic Molecules. Springer. Berlin. 1995
1998Gus/Rui:163	M Gussoni, R Rui, G Zerbi "Electronic and relaxation contribution to linear molecular polarizability. An analysis of the experimental values" J. Mol. Struct. 447 (1998) 163-215	10.1016/S0022-2860(97)00292-5
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
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C3H7NO (dimethylformamide)

Experimental data for C₃H₇NO (dimethylformamide)