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	hartrees
Energy at 0K	-724.188977
Energy at 298.15K	-724.192699
HF Energy	-724.188977
Nuclear repulsion energy	282.273170

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3685	3632	111.64
2	A	1409	1389	243.60
3	A	1160	1143	139.28
4	A	1123	1107	92.97
5	A	789	777	244.71
6	A	709	699	163.89
7	A	493	486	25.51
8	A	474	467	9.44
9	A	465	459	33.01
10	A	382	377	38.82
11	A	336	331	4.03
12	A	263	259	67.94

Atom	x (Å)	y (Å)	z (Å)
O1	-1.326	-0.617	0.413
H2	-2.011	0.053	0.243
S3	0.087	-0.051	-0.147
F4	0.470	0.916	1.111
O5	-0.140	0.830	-1.270
O6	1.015	-1.148	-0.128

	O1	H2	S3	F4	O5	O6
O1		0.9734	1.6227	2.4628	2.5173	2.4605
H2	0.9734		2.1368	2.7662	2.5288	3.2764
S3	1.6227	2.1368		1.6329	1.4453	1.4364
F4	2.4628	2.7662	1.6329		2.4598	2.4688
O5	2.5173	2.5288	1.4453	2.4598		2.5592
O6	2.4605	3.2764	1.4364	2.4688	2.5592

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.794	O1	S3	O5	110.065
O1	S3	O6	107.073	H2	O1	S3	108.411
F4	S3	O5	106.115	F4	S3	O6	106.727
O5	S3	O6	124.913

All results from a given calculation for HSO₃F (Fluorosulfonic acid)

using model chemistry: B97D3/6-311G**

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	O	-0.405
2	H	0.309
3	S	1.183
4	F	-0.286
5	O	-0.416
6	O	-0.385

	x	y	z	Total
	-2.652	0.717	0.473	2.788
CHELPG
AIM
ESP

	x	y	z
x	4.250	-0.400	-0.043
y	-0.400	4.023	-0.313
z	-0.043	-0.313	3.725

<r²>	102.715
(<r²>)^1/2	10.135

All results from a given calculation for HSO3F (Fluorosulfonic acid)

using model chemistry: B97D3/6-311G**

States and conformations

All results from a given calculation for HSO₃F (Fluorosulfonic acid)