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	hartrees
Energy at 0K	-995.143468
Energy at 298.15K
HF Energy	-993.998552
Nuclear repulsion energy	240.543335

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.136	0.000
S2	-1.138	0.964	0.000
F3	0.536	-0.978	1.151
F4	0.536	-0.978	-1.151

	S1	S2	F3	F4
S1		1.8677	1.6016	1.6016
S2	1.8677		2.8105	2.8105
F3	1.6016	2.8105		2.3011
F4	1.6016	2.8105	2.3011

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.967		S2	S1	F4	107.967
F3	S1	F4	91.844

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

using model chemistry: CCSD(T)=FULL/cc-pV(T+d)Z

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(T)=FULL/cc-pV(T+d)Z

States and conformations

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