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	hartrees
Energy at 0K	-719.067263
Energy at 298.15K	-719.071216
HF Energy	-718.450063
Nuclear repulsion energy	285.572397

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3531	3359	98.30
2	A	1536	1461	244.22
3	A	1280	1218	171.22
4	A	1153	1097	72.54
5	A	934	888	325.51
6	A	857	815	117.78
7	A	538	512	46.85
8	A	524	499	33.53
9	A	511	486	45.49
10	A	409	389	28.31
11	A	372	354	0.14
12	A	238	226	137.47

Atom	x (Å)	y (Å)	z (Å)
O1	-1.193	-0.881	0.168
H2	-2.049	-0.378	0.101
S3	0.085	0.022	-0.143
F4	0.415	0.458	1.345
O5	-0.329	1.215	-0.836
O6	1.141	-0.846	-0.572

	O1	H2	S3	F4	O5	O6
O1		0.9951	1.5958	2.4007	2.4805	2.4488
H2	0.9951		2.1848	2.8842	2.5252	3.2936
S3	1.5958	2.1848		1.5856	1.4407	1.4330
F4	2.4007	2.8842	1.5856		2.4264	2.4293
O5	2.4805	2.5252	1.4407	2.4264		2.5461
O6	2.4488	3.2936	1.4330	2.4293	2.5461

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	97.978	O1	S3	O5	109.442
O1	S3	O6	107.780	H2	O1	S3	112.912
F4	S3	O5	106.504	F4	S3	O6	107.069
O5	S3	O6	124.753

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

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

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