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	hartrees
Energy at 0K	-996.028148
Energy at 298.15K	-996.029441
HF Energy	-996.028148
Nuclear repulsion energy	238.405883

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	798	758	311.87
2	A'	740	703	31.68
3	A'	400	380	8.57
4	A'	322	306	9.77
5	A"	754	716	133.06
6	A"	258	245	0.50

Atom	x (Å)	y (Å)	z (Å)
S1	0.536	0.140	0.000
S2	-1.139	0.978	0.000
F3	0.536	-0.994	1.161
F4	0.536	-0.994	-1.161

	S1	S2	F3	F4
S1		1.8728	1.6234	1.6234
S2	1.8728		2.8363	2.8363
F3	1.6234	2.8363		2.3225
F4	1.6234	2.8363	2.3225

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	108.228		S2	S1	F4	108.228
F3	S1	F4	91.342

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

using model chemistry: B1B95/6-31G*

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	0.832
2	S	-0.192
3	F	-0.320
4	F	-0.320

	x	y	z	Total
	1.041	0.694	0.000	1.251
CHELPG
AIM
ESP

	x	y	z
x	6.175	-2.213	0.000
y	-2.213	4.824	0.000
z	0.000	0.000	3.756

<r²>	110.267
(<r²>)^1/2	10.501

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

using model chemistry: B1B95/6-31G*

States and conformations

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