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	hartrees
Energy at 0K	-761.275028
Energy at 298.15K	-761.278899
HF Energy	-761.275028
Nuclear repulsion energy	287.290405

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3726	3726	129.95
2	A'	1290	1290	199.68
3	A'	1175	1175	105.97
4	A'	1007	1007	96.01
5	A'	716	716	171.45
6	A'	532	532	17.64
7	A'	518	518	16.01
8	A'	378	378	4.77
9	A"	1222	1222	266.48
10	A"	536	536	33.10
11	A"	388	388	15.11
12	A"	162	162	81.92

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.146	0.010	0.000
O2	-0.485	1.415	0.000
O3	1.538	0.090	0.000
O4	-0.485	-0.711	1.218
O5	-0.485	-0.711	-1.218
H6	1.812	-0.847	0.000

	Cl1	O2	O3	O4	O5	H6
Cl1		1.4451	1.6855	1.4549	1.4549	2.1373
O2	1.4451		2.4178	2.4497	2.4497	3.2236
O3	1.6855	2.4178		2.4923	2.4923	0.9764
O4	1.4549	2.4497	2.4923		2.4350	2.6026
O5	1.4549	2.4497	2.4923	2.4350		2.6026
H6	2.1373	3.2236	0.9764	2.6026	2.6026

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	O3	H6	103.603	O2	Cl1	O3	100.849
O2	Cl1	O4	115.292	O2	Cl1	O5	115.292
O3	Cl1	O4	104.819	O3	Cl1	O5	104.819
O4	Cl1	O5	113.618

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

using model chemistry: mPW1PW91/cc-pCVDZ

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	1.113
2	O	-0.337
3	O	-0.281
4	O	-0.352
5	O	-0.352
6	H	0.209

	x	y	z	Total
	1.795	-1.462	0.000	2.315
CHELPG
AIM
ESP

	x	y	z
x	4.088	-0.178	0.000
y	-0.178	4.174	0.000
z	0.000	0.000	3.831

<r²>	98.211
(<r²>)^1/2	9.910

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

using model chemistry: mPW1PW91/cc-pCVDZ

States and conformations

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