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
1	Σ	817	828	NISTDiatomic				Y10

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rNCl	1.611	0.000	1	2			NISTdiatomic	re

Atom	x (Å)	y (Å)	z (Å)
N1	0.0000	0.0000	0.0000
Cl2	0.0000	0.0000	1.6107

	N1	Cl2
N1		1.6107
Cl2	1.6107

Energy (cm^-1)	Degeneracy	reference	description
0	3		³Σ
14984.6	1		¹Σ

	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	³Σ	C_∞v	True							C_∞v	1	1
2	1	¹Σ	C_∞v	True							C_∞v	1	1

squib	reference	DOI
1988But/Dyk:299	V Butcher, JM Dyke, AE Lewis, A Morris, A Ridha "A Study of the Ground Electronic State of the Isoelectronic Ions PF+ and NCl+ by Vacuum Ultraviolet Photoelecctron Spectroscopy" J. Chem. Soc. Faraday Trans. 2, 1988, 84(3), 299-310	10.1039/f29888400299
2007Iri:389	KK Irikura "Experimental Vibrational Zero-Point Energies: Diatomic Molecules" J. Phys. Chem. Ref. Data 36(2), 389, 2007	10.1063/1.2436891
NISTdiatomic	NIST Diatomic Spectral Database (www.physics.nist.gov/PhysRefData/MolSpec/Diatomic/index.html)	10.18434/T4T59X

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Experimental data for NCl+ (nitrogen monochloride cation)

Experimental data for NCl⁺ (nitrogen monochloride cation)