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	hartrees
Energy at 0K	-719.900501
Energy at 298.15K
HF Energy	-719.900501
Nuclear repulsion energy	267.581892

Atom	x (Å)	y (Å)	z (Å)
O1	-1.111	-0.732	-0.869
H2	-1.979	-0.250	-0.717
S3	0.083	0.147	-0.030
F4	0.438	-1.041	1.095
O5	-0.628	1.312	0.714
O6	1.329	0.329	-0.926

	O1	H2	S3	F4	O5	O6
O1		1.0038	1.7038	2.5207	2.6299	2.6613
H2	1.0038		2.2088	3.1218	2.5119	3.3643
S3	1.7038	2.2088		1.6739	1.5540	1.5451
F4	2.5207	3.1218	1.6739		2.6107	2.5981
O5	2.6299	2.5119	1.5540	2.6107		2.7353
O6	2.6613	3.3643	1.5451	2.5981	2.7353

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	96.531	O1	S3	O5	107.569
O1	S3	O6	109.901	H2	O1	S3	106.441
F4	S3	O5	107.900	F4	S3	O6	107.564
O5	S3	O6	123.913

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

using model chemistry: HSEh1PBE/3-21G

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: HSEh1PBE/3-21G

States and conformations

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