CCCBDB listing of experimental data page 2

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Property	Value	Uncertainty	units	Reference
Hfg(298.15K)	340.00	3.00	kJ mol^-1	webbook
Hfg(0K)		3.00	kJ mol^-1	webbook
Entropy (298.15K)			J K^-1 mol^-1
Integrated Heat Capacity (0 to 298.15K)			kJ mol^-1

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	A_g	3050		2003Jen:231
2	A_g	2230
3	A_g	1610
4	A_g	1295
5	A_g	1000
6	A_g	534
7	A_g	261
8	A_u	940						numbering change from ref
9	A_u	545						numbering change from ref
10	A_u							numbering change from ref
11	B_g	845						numbering change from ref
12	B_g	383						numbering change from ref
13	B_u	3050
14	B_u	2243
15	B_u	1259
16	B_u	1000
17	B_u	534
18	B_u	148

Bond Type	Count
H-C	2
C-C	2
C=C	1
C#N	2

Atom 1	Atom 2
C1	C2
C1	C3
C1	H7
C2	C4
C2	H8
C3	N5
C4	N6

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_g	C_2h	True							C_2h	0	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
2003Jen:231	JO Jensen "Vibrational frequencies and structural determinations of fumaronitrile" J. Mol. Struct. (Theochem) 631 (2003) 231-240	10.1016/S0166-1280(03)00254-9
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for C4H2N2 (Fumaronitrile)

Experimental data for C₄H₂N₂ (Fumaronitrile)