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	hartrees
Energy at 0K	-82.206240
Energy at 298.15K	-82.210060
HF Energy	-81.369399
Nuclear repulsion energy	109.630842

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3707	3520	131.63
2	A	1450	1376	267.48
3	A	1204	1143	196.81
4	A	1187	1127	83.34
5	A	831	789	240.08
6	A	745	707	214.47
7	A	510	484	37.45
8	A	494	469	16.94
9	A	477	453	35.98
10	A	400	380	44.64
11	A	351	334	2.13
12	A	278	264	70.56

Atom	x (Å)	y (Å)	z (Å)
O1	-1.185	-0.935	0.172
H2	-1.991	-0.367	0.142
S3	0.095	0.009	-0.154
F4	0.298	0.623	1.340
O5	-0.311	1.131	-0.988
O6	1.219	-0.869	-0.400

	O1	H2	S3	F4	O5	O6
O1		0.9860	1.6238	2.4481	2.5255	2.4724
H2	0.9860		2.1405	2.7671	2.5188	3.2938
S3	1.6238	2.1405		1.6281	1.4560	1.4467
F4	2.4481	2.7671	1.6281		2.4595	2.4704
O5	2.5255	2.5188	1.4560	2.4595		2.5852
O6	2.4724	3.2938	1.4467	2.4704	2.5852

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	97.667	O1	S3	O5	110.051
O1	S3	O6	107.118	H2	O1	S3	107.686
F4	S3	O5	105.637	F4	S3	O6	106.768
O5	S3	O6	125.903

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

using model chemistry: MP2/CEP-31G*

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: MP2/CEP-31G*

States and conformations

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