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	hartrees
Energy at 0K	-723.266159
Energy at 298.15K	-723.270169
HF Energy	-722.123573
Nuclear repulsion energy	286.904281

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3794	3594	137.63
2	A	1525	1444	295.16
3	A	1257	1190	163.56
4	A	1189	1126	117.64
5	A	885	838	266.23
6	A	782	741	215.26
7	A	536	508	42.64
8	A	522	494	26.48
9	A	507	481	44.09
10	A	427	404	57.02
11	A	371	351	3.73
12	A	297	281	76.55

Atom	x (Å)	y (Å)	z (Å)
O1	1.224	0.787	0.304
H2	2.006	0.221	0.260
S3	-0.088	0.018	-0.149
F4	-0.384	-0.759	1.215
O5	0.244	-0.989	-1.106
O6	-1.110	0.992	-0.298

	O1	H2	S3	F4	O5	O6
O1		0.9668	1.5870	2.4096	2.4699	2.4192
H2	0.9668		2.1438	2.7539	2.5366	3.2588
S3	1.5870	2.1438		1.5981	1.4281	1.4197
F4	2.4096	2.7539	1.5981		2.4157	2.4265
O5	2.4699	2.5366	1.4281	2.4157		2.5320
O6	2.4192	3.2588	1.4197	2.4265	2.5320

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	98.323	O1	S3	O5	109.894
O1	S3	O6	107.012	H2	O1	S3	111.865
F4	S3	O5	105.791	F4	S3	O6	106.892
O5	S3	O6	125.522

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

using model chemistry: MP2=FULL/6-311G*

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=FULL/6-311G*

States and conformations

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