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	hartrees
Energy at 0K	-724.211229
Energy at 298.15K	-724.215057
Nuclear repulsion energy	283.329765

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3748	3603	145.29
2	A	1443	1387	254.61
3	A	1203	1156	188.63
4	A	1147	1102	68.24
5	A	868	834	253.25
6	A	800	769	134.21
7	A	508	488	37.44
8	A	496	477	24.05
9	A	471	453	32.49
10	A	386	371	32.17
11	A	341	328	0.46
12	A	262	251	69.85

Atom	x (Å)	y (Å)	z (Å)
O1	-1.145	-0.926	0.330
H2	-1.955	-0.392	0.240
S3	0.078	0.003	-0.156
F4	0.423	0.679	1.268
O5	-0.426	1.072	-0.995
O6	1.182	-0.866	-0.480

	O1	H2	S3	F4	O5	O6
O1		0.9738	1.6103	2.4318	2.5022	2.4639
H2	0.9738		2.1083	2.8035	2.4507	3.2524
S3	1.6103	2.1083		1.6138	1.4494	1.4410
F4	2.4318	2.8035	1.6138		2.4490	2.4529
O5	2.5022	2.4507	1.4494	2.4490		2.5694
O6	2.4639	3.2524	1.4410	2.4529	2.5694

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O1	S3	F4	97.922	O1	S3	O5	109.615
O1	S3	O6	107.577	H2	O1	S3	106.750
F4	S3	O5	106.034	F4	S3	O6	106.693
O5	S3	O6	125.479

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

using model chemistry: B1B95/cc-pVDZ

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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Number	Element	Mulliken
1	O	-0.279
2	H	0.207
3	S	1.083
4	F	-0.260
5	O	-0.391
6	O	-0.361

	x	y	z	Total
	-2.611	-0.000	0.674	2.696
CHELPG
AIM
ESP

	x	y	z
x	3.994	-0.340	-0.082
y	-0.340	3.625	-0.204
z	-0.082	-0.204	3.233

<r²>	0.000
(<r²>)^1/2	0.000

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

using model chemistry: B1B95/cc-pVDZ

States and conformations

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