CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference	Comment
Hfg(298.15K)	672.80	9.20	kJ mol^-1	webbook
Hfg(0K)		9.20	kJ mol^-1	webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCC	1.484	0.006	1	2			1976Hellwege(II/7)
rCN	1.161	0.004	2	6			1976Hellwege(II/7)

Atom	x (Å)	y (Å)	z (Å)
C1	0.0000	0.0000	0.0000
C2	0.8568	0.8568	0.8568
C3	-0.8568	-0.8568	0.8568
C4	-0.8568	0.8568	-0.8568
C5	0.8568	-0.8568	-0.8568
N6	1.5271	1.5271	1.5271
N7	-1.5271	-1.5271	1.5271
N8	-1.5271	1.5271	-1.5271
N9	1.5271	-1.5271	-1.5271

	C1	C2	C3	C4	C5	N6	N7	N8	N9
C1		1.4840	1.4840	1.4840	1.4840	2.6450	2.6450	2.6450	2.6450
C2	1.4840		2.4234	2.4234	2.4234	1.1610	3.4373	3.4373	3.4373
C3	1.4840	2.4234		2.4234	2.4234	3.4373	1.1610	3.4373	3.4373
C4	1.4840	2.4234	2.4234		2.4234	3.4373	3.4373	1.1610	3.4373
C5	1.4840	2.4234	2.4234	2.4234		3.4373	3.4373	3.4373	1.1610
N6	2.6450	1.1610	3.4373	3.4373	3.4373		4.3193	4.3193	4.3193
N7	2.6450	3.4373	1.1610	3.4373	3.4373	4.3193		4.3193	4.3193
N8	2.6450	3.4373	3.4373	1.1610	3.4373	4.3193	4.3193		4.3193
N9	2.6450	3.4373	3.4373	3.4373	1.1610	4.3193	4.3193	4.3193

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	N6	180.000	C1	C3	N7	180.000
C1	C4	N8	180.000	C1	C5	N9	180.000
C2	C1	C3	109.471	C2	C1	C4	109.471
C2	C1	C5	109.471	C3	C1	C4	109.471
C3	C1	C5	109.471	C4	C1	C5	109.471

	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	T_d	True							T_d	0	0

squib	reference	DOI
1976Hellwege(II/7)	Hellwege, KH and AM Hellwege (ed.). Landolt-Bornstein: Group II: Atomic and Molecular Physics Volume 7: Structure Data of Free Polyatomic Molecules. Springer-Verlag. Berlin. 1976.
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

Bond Type	Count
C-C	4
C#N	4

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Experimental data for C(CN)4 (tetracyanomethane)

Experimental data for C(CN)₄ (tetracyanomethane)