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	hartrees
Energy at 0K	-995.534568
Energy at 298.15K
HF Energy	-995.534568
Nuclear repulsion energy	233.348883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	747	747	200.88
2	A'	676	676	88.61
3	A'	355	355	7.88
4	A'	283	283	4.91
5	A"	657	657	124.76
6	A"	243	243	0.13

Atom	x (Å)	y (Å)	z (Å)
S1	0.537	0.142	0.000
S2	-1.140	0.999	0.000
F3	0.537	-1.014	1.213
F4	0.537	-1.014	-1.213

	S1	S2	F3	F4
S1		1.8835	1.6754	1.6754
S2	1.8835		2.8873	2.8873
F3	1.6754	2.8873		2.4252
F4	1.6754	2.8873	2.4252

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.303		S2	S1	F4	108.303
F3	S1	F4	92.736

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

using model chemistry: PBEPBE/cc-pV(D+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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Number	Element	Mulliken
1	S	0.657
2	S	-0.139
3	F	-0.259
4	F	-0.259

	x	y	z	Total
	0.527	1.099	0.000	1.219
CHELPG
AIM
ESP

	x	y	z
x	5.972	-2.289	0.000
y	-2.289	4.955	0.000
z	0.000	0.000	3.884

<r²>	113.806
(<r²>)^1/2	10.668

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

using model chemistry: PBEPBE/cc-pV(D+d)Z

States and conformations

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