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'	3557		2006Boe/Mar:310
2	A'	1307		2006Boe/Mar:310
3	A'	1180		2006Boe/Mar:310
4	A'	1038		2006Boe/Mar:310
5	A'	711		2006Boe/Mar:310
6	A'	569		2006Boe/Mar:310
7	A'	548		2006Boe/Mar:310
8	A'	405		2006Boe/Mar:310
9	A"	1242		2006Boe/Mar:310
10	A"	576		2006Boe/Mar:310
11	A"	408		2006Boe/Mar:310
12	A"	191		2006Boe/Mar:310

Description	Value	unc.	Connectivity				Reference	Comment
Description	Value	unc.	Atom 1	Atom 2	Atom 3	Atom 4	Reference	Comment
rOCl	1.404	0.001	1	4			1994Cas/Mac:8339	ra
rOCl	1.414	0.001	1	2			1994Cas/Mac:8339	ra
rOCl	1.641	0.002	1	3			1994Cas/Mac:8339	ra
rOH	0.980		3	6			1994Cas/Mac:8339	MP2/6-31G** value
aOClO	115	0.2	3	1	4		1994Cas/Mac:8339
aOClO	114.6	0.2	4	1	5		1994Cas/Mac:8339
aOClO	101.5	1.5	2	1	3		1994Cas/Mac:8339
aOClO	104.2	0.8	2	1	4		1994Cas/Mac:8339
aHOCl	105		1	2	6		1994Cas/Mac:8339	MP2/6-31G** value

Bond Type	Count
H-O	1
O-Cl	1
O=Cl	3

Atom 1	Atom 2
Cl1	O2
Cl1	O3
Cl1	O4
Cl1	O5
O3	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	1.720	1.320		2.170	2005Oh/Dro:10-24	MW μ₀	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
1994Cas/Mac:8339	B Casper, H-G Mack, HSP Muller, H Willner, H Oberhammer "Molecular Structures of Perchloric Acid and Halogen Perhclorates ClOClO3 and FOClO3" J. Phys. Chem. 1994, 90, 8339-8342	10.1021/j100085a013
2005Oh/Dro:10-24	JJ Oh, BJ Drouin EA Cohen "The torsion–rotation spectrum of perchloric acid, HClO4" J. Mol. Spect. 234 (2005) 10–24	10.1016/j.jms.2005.07.012
2006Boe/Mar:310	AD Boese, JML Martin "Anharmonic force fields of perchloric acis, HClO4, and perchloric anhydride, Cl2O7. An extreme case of inner polarization" J. Molecular Structure 780-781 (2006) 310-316	10.1016/j.molstruc.2005.07.009

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Experimental data for HClO4 (perchloric acid)

Experimental data for HClO₄ (perchloric acid)