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	hartrees
Energy at 0K	-760.866274
Energy at 298.15K	-760.870080
HF Energy	-760.866274
Nuclear repulsion energy	286.348432

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3721	3578	130.82
2	A'	1284	1235	194.00
3	A'	1170	1125	107.22
4	A'	1004	965	94.72
5	A'	714	686	168.86
6	A'	526	506	17.03
7	A'	512	493	17.08
8	A'	373	359	4.75
9	A"	1216	1169	261.16
10	A"	530	509	32.96
11	A"	384	369	15.01
12	A"	153	147	81.33

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.146	0.010	0.000
O2	-0.486	1.421	0.000
O3	1.542	0.090	0.000
O4	-0.486	-0.713	1.222
O5	-0.486	-0.713	-1.222
H6	1.813	-0.849	0.000

	Cl1	O2	O3	O4	O5	H6
Cl1		1.4505	1.6896	1.4602	1.4602	2.1391
O2	1.4505		2.4253	2.4588	2.4588	3.2303
O3	1.6896	2.4253		2.4997	2.4997	0.9772
O4	1.4602	2.4588	2.4997		2.4439	2.6066
O5	1.4602	2.4588	2.4997	2.4439		2.6066
H6	2.1391	3.2303	0.9772	2.6066	2.6066

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	O3	H6	103.409	O2	Cl1	O3	100.858
O2	Cl1	O4	115.294	O2	Cl1	O5	115.294
O3	Cl1	O4	104.813	O3	Cl1	O5	104.813
O4	Cl1	O5	113.615

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

using model chemistry: PBE1PBE/cc-pVDZ

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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Number	Element	Mulliken
1	Cl	1.122
2	O	-0.340
3	O	-0.282
4	O	-0.355
5	O	-0.355
6	H	0.209

	x	y	z	Total
	1.796	-1.463	0.000	2.316
CHELPG
AIM
ESP

	x	y	z
x	4.124	-0.179	0.000
y	-0.179	4.210	0.000
z	0.000	0.000	3.864

<r²>	98.763
(<r²>)^1/2	9.938

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

using model chemistry: PBE1PBE/cc-pVDZ

States and conformations

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