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	hartrees
Energy at 0K	-994.998599
Energy at 298.15K	-994.999989
HF Energy	-993.994605
Nuclear repulsion energy	240.573130

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	787	749	347.53
2	A'	748	711	35.12
3	A'	428	407	5.28
4	A'	346	329	11.85
5	A"	742	706	147.09
6	A"	276	262	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.538	0.140	0.000
S2	-1.144	0.960	0.000
F3	0.538	-0.978	1.145
F4	0.538	-0.978	-1.145

	S1	S2	F3	F4
S1		1.8710	1.6006	1.6006
S2	1.8710		2.8097	2.8097
F3	1.6006	2.8097		2.2907
F4	1.6006	2.8097	2.2907

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.810		S2	S1	F4	107.810
F3	S1	F4	91.385

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

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 S2F2 (Thio-thionyl fluoride)

using model chemistry: CCSD=FULL/aug-cc-pVTZ

States and conformations

All results from a given calculation for S₂F₂ (Thio-thionyl fluoride)