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	hartrees
Energy at 0K	-724.248471
Energy at 298.15K	-724.252273
Nuclear repulsion energy	283.443434

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3743	3609	145.00
2	A	1426	1375	284.25
3	A	1186	1144	170.92
4	A	1150	1109	88.41
5	A	830	800	262.05
6	A	760	732	175.64
7	A	508	490	34.55
8	A	493	475	16.23
9	A	475	458	32.43
10	A	389	375	37.28
11	A	344	332	1.71
12	A	267	257	73.66

Atom	x (Å)	y (Å)	z (Å)
O1	-1.262	-0.779	0.281
H2	-2.021	-0.176	0.185
S3	0.088	-0.015	-0.150
F4	0.402	0.709	1.260
O5	-0.218	1.047	-1.081
O6	1.104	-1.013	-0.342

	O1	H2	S3	F4	O5	O6
O1		0.9748	1.6102	2.4379	2.5069	2.4584
H2	0.9748		2.1415	2.7951	2.5200	3.2784
S3	1.6102	2.1415		1.6163	1.4456	1.4369
F4	2.4379	2.7951	1.6163		2.4459	2.4542
O5	2.5069	2.5200	1.4456	2.4459		2.5568
O6	2.4584	3.2784	1.4369	2.4542	2.5568

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.157	O1	S3	O5	110.134
O1	S3	O6	107.437	H2	O1	S3	109.407
F4	S3	O5	105.906	F4	S3	O6	106.846
O5	S3	O6	124.999

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

using model chemistry: B3LYP/6-31+G**

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	ESP
1	O	-0.601	-0.488
2	H	0.396	0.445
3	S	1.702	1.020
4	F	-0.398	-0.192
5	O	-0.554	-0.423
6	O	-0.545	-0.362

	x	y	z	Total
	-2.791	0.363	0.663	2.892
CHELPG
AIM
ESP	-2.780	0.352	0.634	2.873

	x	y	z
x	4.812	-0.331	-0.060
y	-0.331	4.718	-0.239
z	-0.060	-0.239	4.322

<r²>	102.304
(<r²>)^1/2	10.115

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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