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	hartrees
Energy at 0K	-995.690580
Energy at 298.15K	-995.691319
HF Energy	-995.690580
Nuclear repulsion energy	218.820479

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	656	628	165.92
2	A'	594	569	21.44
3	A'	275	264	12.01
4	A'	213	204	4.23
5	A"	620	593	79.62
6	A"	196	188	0.79

Atom	x (Å)	y (Å)	z (Å)
S1	0.590	0.177	0.000
S2	-1.253	1.017	0.000
F3	0.590	-1.062	1.284
F4	0.590	-1.062	-1.284

	S1	S2	F3	F4
S1		2.0245	1.7844	1.7844
S2	2.0245		3.0598	3.0598
F3	1.7844	3.0598		2.5684
F4	1.7844	3.0598	2.5684

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
S2	S1	F3	106.732		S2	S1	F4	106.732
F3	S1	F4	92.058

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

using model chemistry: B3PW91/6-31G

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	0.770
2	S	-0.086
3	F	-0.342
4	F	-0.342

	x	y	z	Total
	0.915	1.961	0.000	2.164
CHELPG
AIM
ESP

	x	y	z
x	6.763	-3.094	0.000
y	-3.094	5.326	0.000
z	0.000	0.000	4.088

<r²>	127.091
(<r²>)^1/2	11.273

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

using model chemistry: B3PW91/6-31G

States and conformations

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