CCCBDB listing of experimental data page 2

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Mode Number	Symmetry	Frequency			Intensity			Comment	Description
Mode Number	Symmetry	Fundamental(cm^-1)	Harmonic(cm^-1)	Reference	(km mol^-1)	unc.	Reference	Comment	Description
3	A'	2044		webbook				CCN str
5	A'	1124
6	A'	1000						NH deform.
7	A'	693						CH2 wag
8	A'	466						CCN bend
10	A"	983						CH2 rock
11	A"	872						torsion
12	A"	409						CCN bend

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

Atom 1	Atom 2
C1	C2
C1	H4
C1	H5
C2	N3
N3	H6

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	True	1.371	0.434		1.438	1984Rod/Bro:447	x=c, y=a, z=b	C_s	2	3

State	Config	State description	Conf description	Exp. min.	Quadrupole (D Å)			Reference	comment	Point Group	Components
State	Config	State description	Conf description	Exp. min.	xx	yy	zz	Reference	comment	Point Group	dipole	quadrupole
1	1	¹A^'	C_s	True						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
1984Rod/Bro:447	M Rodler, RD Brown, PD Godfrey, LM Tack "Generation, Microwave Spectrum and Dipole Moment of Ketenimine" Chem. Phys. Lett. 110(5) 447-451, 1984	10.1016/0009-2614(84)87068-2
1986Rod/Bro:267	M Rodler, RD Brown, PD Godfrey, B Kleibomer "The Rotation-Inversion Spectrum of Ketenimine, H2C=C=NH" J. Mol. Spect. 118, 267-276 (1986)	10.1016/0022-2852(86)90240-7
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for H2CCNH (Ethenimine)

Experimental data for H₂CCNH (Ethenimine)