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	hartrees
Energy at 0K	-995.139897
Energy at 298.15K	-995.141500
HF Energy	-994.006666
Nuclear repulsion energy	242.148831

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	798	798	356.78
2	A'	757	757	29.28
3	A'	438	438	5.11
4	A'	353	353	11.96
5	A"	749	749	148.86
6	A"	281	281	0.01

Atom	x (Å)	y (Å)	z (Å)
S1	0.533	0.136	0.000
S2	-1.133	0.959	0.000
F3	0.533	-0.973	1.139
F4	0.533	-0.973	-1.139

	S1	S2	F3	F4
S1		1.8587	1.5893	1.5893
S2	1.8587		2.7939	2.7939
F3	1.5893	2.7939		2.2772
F4	1.5893	2.7939	2.2772

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	107.998		S2	S1	F4	107.998
F3	S1	F4	91.519

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

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

States and conformations

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