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	hartrees
Energy at 0K	-760.838977
Energy at 298.15K	-760.842869
HF Energy	-760.838977
Nuclear repulsion energy	288.653218

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3701	3517	122.33
2	A'	1339	1273	193.74
3	A'	1220	1160	120.75
4	A'	1032	981	96.06
5	A'	735	698	170.79
6	A'	542	515	19.04
7	A'	525	499	14.40
8	A'	381	362	4.91
9	A"	1250	1188	261.65
10	A"	548	521	33.77
11	A"	391	372	20.70
12	A"	181	172	90.08

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.144	0.010	0.000
O2	-0.483	1.409	0.000
O3	1.527	0.090	0.000
O4	-0.483	-0.708	1.211
O5	-0.483	-0.708	-1.211
H6	1.825	-0.841	0.000

	Cl1	O2	O3	O4	O5	H6
Cl1		1.4388	1.6724	1.4487	1.4487	2.1454
O2	1.4388		2.4036	2.4387	2.4387	3.2234
O3	1.6724	2.4036		2.4788	2.4788	0.9782
O4	1.4487	2.4387	2.4788		2.4229	2.6105
O5	1.4487	2.4387	2.4788	2.4229		2.6105
H6	2.1454	3.2234	0.9782	2.6105	2.6105

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	O3	H6	105.036	O2	Cl1	O3	100.902
O2	Cl1	O4	115.251	O2	Cl1	O5	115.251
O3	Cl1	O4	104.935	O3	Cl1	O5	104.935
O4	Cl1	O5	113.486

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

using model chemistry: PBE1PBE/6-31G*

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	1.519
2	O	-0.443
3	O	-0.623
4	O	-0.458
5	O	-0.458
6	H	0.463

	x	y	z	Total
	1.934	-1.542	0.000	2.473
CHELPG
AIM
ESP

	x	y	z
x	4.226	-0.167	0.000
y	-0.167	4.275	0.000
z	0.000	0.000	3.959

<r²>	97.557
(<r²>)^1/2	9.877

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

using model chemistry: PBE1PBE/6-31G*

States and conformations

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