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
2	Σ	418		2002Bre/Ziu:4853
3	Π	212		2002Bre/Ziu:4853

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rCZn	1.950		1	2			2002Bre/Ziu:4853
rCN	1.142		2	3			2002Bre/Ziu:4853
aN#CZn	180		1	2	3		2002Bre/Ziu:4853

Atom	x (Å)	y (Å)	z (Å)
Zn1	0.0000	0.0000	0.0000
C2	0.0000	0.0000	1.9496
N3	0.0000	0.0000	3.0913

	Zn1	C2	N3
Zn1		1.9496	3.0913
C2	1.9496		1.1417
N3	3.0913	1.1417

Bond Type	Count
C-Zn	1
C#N	1

	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	²Σ	C_∞v	False							C_∞v	1	1
1	2	²A^'	C_s	False							C_s	2	3

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Experimental data for ZnCN (Zinc monocyanide)