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	hartrees
Energy at 0K	-738.584353
Energy at 298.15K	-738.585728
HF Energy	-738.584353
Nuclear repulsion energy	256.729474

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	944	830	54.49
2	A₁	692	608	18.29
3	A₁	293	257	15.76
4	A₁	213	187	0.64
5	A₂	214	188	0.00
6	B₁	738	649	66.84
7	B₁	275	242	15.47
8	B₂	1073	943	33.43
9	B₂	311	273	13.15

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.212
O2	0.000	1.438	0.918
O3	0.000	-1.438	0.918
F4	1.258	0.000	-1.004
F5	-1.258	0.000	-1.004

	S1	O2	O3	F4	F5
S1		1.6019	1.6019	1.7496	1.7496
O2	1.6019		2.8758	2.7099	2.7099
O3	1.6019	2.8758		2.7099	2.7099
F4	1.7496	2.7099	2.7099		2.5164
F5	1.7496	2.7099	2.7099	2.5164

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	127.698	O2	S1	F4	107.833
O2	S1	F5	107.833	O3	S1	F4	107.833
O3	S1	F5	107.833	F4	S1	F5	91.970

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)

using model chemistry: mPW1PW91/STO-3G

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	0.896
2	O	-0.305
3	O	-0.305
4	F	-0.143
5	F	-0.143

	x	y	z	Total
	0.000	0.000	-0.564	0.564
CHELPG
AIM
ESP

<r²>	112.815
(<r²>)^1/2	10.621

All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: mPW1PW91/STO-3G

States and conformations

All results from a given calculation for SO₂F₂ (Sulfuryl fluoride)