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	hartrees
Energy at 0K	-672.390000
Energy at 298.15K	-672.393455
HF Energy	-671.360566
Nuclear repulsion energy	194.166913

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1365	1299	170.92
2	A'	847	805	188.38
3	A'	542	515	26.28
4	A'	387	368	5.12
5	A"	787	748	213.86
6	A"	399	379	4.87

Atom	x (Å)	y (Å)	z (Å)
S1	0.248	0.360	0.000
O2	-1.054	0.936	0.000
F3	0.248	-0.736	1.144
F4	0.248	-0.736	-1.144

	S1	O2	F3	F4
S1		1.4236	1.5841	1.5841
O2	1.4236		2.4080	2.4080
F3	1.5841	2.4080		2.2880
F4	1.5841	2.4080	2.2880

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.256		O2	S1	F4	106.256
F3	S1	F4	92.468

All results from a given calculation for F₂SO (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 F2SO (Thionyl Fluoride)

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

States and conformations

All results from a given calculation for F₂SO (Thionyl Fluoride)