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	A'	1263		webbook
2	A'	308		webbook
3	A'	492		webbook

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rPO	1.462	0.011	1	2			1999Bru/Bru:6300	r0
rPCl	2.059	0.004	1	3			1999Bru/Bru:6300	r0
aOPCl	110.04	0.43	2	1	3		1999Bru/Bru:6300

Atom	x (Å)	y (Å)
P1	0.0000	0.8220
O2	1.4619	0.8351
Cl3	-0.6880	-1.1183

	P1	O2	Cl3
P1		1.4620	2.0586
O2	1.4620		2.9048
Cl3	2.0586	2.9048

Bond Type	Count
O=P	1
P-Cl	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	¹A^'	C_s	True							C_s	2	3

squib	reference	DOI
1999Bru/Bru:6300	B Brupbacher-Gatehouse, T Brupbacher "The molecular geometry, harmonic force field, bonding characteristics, and nuclear shileding parameters of OPCl, as dtermined from high resolution microwave spectra" J. Chem. Phys. 111(14) 6300, 1999	10.1063/1.479934
webbook	NIST Chemistry Webbook (http://webbook.nist.gov/chemistry)	10.18434/T4D303

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Experimental data for OPCl (Phosphorus oxychloride)