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	hartrees
Energy at 0K	-761.180622
Energy at 298.15K	-761.184431
HF Energy	-761.180622
Nuclear repulsion energy	285.759086

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3694	3694	122.58
2	A'	1271	1271	188.50
3	A'	1157	1157	106.36
4	A'	988	988	93.30
5	A'	696	696	166.23
6	A'	521	521	19.49
7	A'	505	505	10.79
8	A'	369	369	4.75
9	A"	1200	1200	255.97
10	A"	525	525	30.31
11	A"	378	378	15.13
12	A"	161	161	80.51

Atom	x (Å)	y (Å)	z (Å)
Cl1	-0.148	0.010	0.000
O2	-0.487	1.421	0.000
O3	1.550	0.092	0.000
O4	-0.487	-0.714	1.223
O5	-0.487	-0.714	-1.223
H6	1.822	-0.848	0.000

	Cl1	O2	O3	O4	O5	H6
Cl1		1.4514	1.7000	1.4613	1.4613	2.1487
O2	1.4514		2.4323	2.4608	2.4608	3.2374
O3	1.7000	2.4323		2.5093	2.5093	0.9787
O4	1.4613	2.4608	2.5093		2.4464	2.6165
O5	1.4613	2.4608	2.5093	2.4464		2.6165
H6	2.1487	3.2374	0.9787	2.6165	2.6165

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Cl1	O3	H6	103.358	O2	Cl1	O3	100.737
O2	Cl1	O4	115.313	O2	Cl1	O5	115.313
O3	Cl1	O4	104.819	O3	Cl1	O5	104.819
O4	Cl1	O5	113.659

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

using model chemistry: B3PW91/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	1.093
2	O	-0.330
3	O	-0.283
4	O	-0.345
5	O	-0.345
6	H	0.209

	x	y	z	Total
	1.732	-1.456	0.000	2.263
CHELPG
AIM
ESP

	x	y	z
x	4.176	-0.178	0.000
y	-0.178	4.241	0.000
z	0.000	0.000	3.893

<r²>	99.061
(<r²>)^1/2	9.953

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

using model chemistry: B3PW91/cc-pCVDZ

States and conformations

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