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	hartrees
Energy at 0K	-990.895107
Energy at 298.15K	-990.895924
HF Energy	-990.895107
Nuclear repulsion energy	222.249409

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	717	684	123.16
2	A'	521	497	41.38
3	A'	292	279	11.92
4	A'	234	224	4.38
5	A"	708	675	62.36
6	A"	194	185	1.92

Atom	x (Å)	y (Å)	z (Å)
S1	0.600	0.147	0.000
S2	-1.275	1.013	0.000
F3	0.600	-1.031	1.238
F4	0.600	-1.031	-1.238

	S1	S2	F3	F4
S1		2.0657	1.7088	1.7088
S2	2.0657		3.0376	3.0376
F3	1.7088	3.0376		2.4765
F4	1.7088	3.0376	2.4765

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	106.797		S2	S1	F4	106.797
F3	S1	F4	92.879

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

using model chemistry: mPW1PW91/3-21G

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	S	0.810
2	S	-0.209
3	F	-0.301
4	F	-0.301

	x	y	z	Total
	1.887	0.676	0.000	2.005
CHELPG
AIM
ESP

	x	y	z
x	6.407	-2.975	0.000
y	-2.975	4.535	0.000
z	0.000	0.000	3.413

<r²>	124.866
(<r²>)^1/2	11.174

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

using model chemistry: mPW1PW91/3-21G

States and conformations

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