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	hartrees
Energy at 0K	-724.441392
Energy at 298.15K	-724.445304
HF Energy	-724.441392
Nuclear repulsion energy	286.668906

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3737	3616	140.96
2	A	1447	1400	273.50
3	A	1208	1169	165.79
4	A	1162	1125	79.23
5	A	849	821	234.88
6	A	776	751	164.24
7	A	527	509	32.18
8	A	512	495	14.13
9	A	492	476	27.60
10	A	398	385	26.41
11	A	356	345	0.55
12	A	274	265	71.25

Atom	x (Å)	y (Å)	z (Å)
O1	-1.283	-0.755	0.208
H2	-2.009	-0.111	0.181
S3	0.080	0.001	-0.147
F4	0.457	0.515	1.314
O5	-0.189	1.179	-0.923
O6	1.048	-0.991	-0.491

	O1	H2	S3	F4	O5	O6
O1		0.9710	1.5981	2.4211	2.4926	2.4441
H2	0.9710		2.1183	2.7857	2.4896	3.2513
S3	1.5981	2.1183		1.5943	1.4358	1.4274
F4	2.4211	2.7857	1.5943		2.4211	2.4236
O5	2.4926	2.4896	1.4358	2.4211		2.5345
O6	2.4441	3.2513	1.4274	2.4236	2.5345

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.642	O1	S3	O5	110.375
O1	S3	O6	107.635	H2	O1	S3	108.608
F4	S3	O5	105.950	F4	S3	O6	106.521
O5	S3	O6	124.547

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

using model chemistry: B3LYP/aug-cc-pVTZ

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

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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