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	hartrees
Energy at 0K	-761.250300
Energy at 298.15K	-761.254151
HF Energy	-761.250300
Nuclear repulsion energy	288.110321

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3585	142.36
2	A'	1298	1236	210.91
3	A'	1184	1127	113.91
4	A'	1010	961	95.66
5	A'	708	674	178.94
6	A'	534	508	18.22
7	A'	517	492	12.52
8	A'	377	359	4.78
9	A"	1215	1156	280.58
10	A"	539	513	31.24
11	A"	386	368	19.57
12	A"	175	166	91.37

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.145	0.010	0.000
O2	-0.485	1.409	0.000
O3	1.533	0.092	0.000
O4	-0.485	-0.709	1.213
O5	-0.485	-0.709	-1.213
H6	1.840	-0.832	0.000

	Cl1	O2	O3	O4	O5	H6
Cl1		1.4402	1.6793	1.4506	1.4506	2.1560
O2	1.4402		2.4097	2.4411	2.4411	3.2296
O3	1.6793	2.4097		2.4870	2.4870	0.9738
O4	1.4506	2.4411	2.4870		2.4256	2.6256
O5	1.4506	2.4411	2.4870	2.4256		2.6256
H6	2.1560	3.2296	0.9738	2.6256	2.6256

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	O3	H6	105.611	O2	Cl1	O3	100.874
O2	Cl1	O4	115.228	O2	Cl1	O5	115.228
O3	Cl1	O4	104.998	O3	Cl1	O5	104.998
O4	Cl1	O5	113.457

All results from a given calculation for HClO₄ (perchloric acid)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	Cl	1.353
2	O	-0.417
3	O	-0.503
4	O	-0.414
5	O	-0.414
6	H	0.396

	x	y	z	Total
	1.919	-1.508	0.000	2.441
CHELPG
AIM
ESP

	x	y	z
x	5.074	-0.083	0.000
y	-0.083	5.091	0.000
z	0.000	0.000	4.908

<r²>	98.316
(<r²>)^1/2	9.915

All results from a given calculation for HClO4 (perchloric acid)

using model chemistry: mPW1PW91/6-31+G**

States and conformations

All results from a given calculation for HClO₄ (perchloric acid)