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	hartrees
Energy at 0K	-747.220388
Energy at 298.15K	-747.223340
HF Energy	-746.095851
Nuclear repulsion energy	291.010596

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A₁	1300	1222	143.00
2	A₁	858	807	106.17
3	A₁	547	514	24.99
4	A₁	382	359	0.07
5	A₂	379	356	0.00
6	B₁	906	851	208.65
7	B₁	533	501	19.81
8	B₂	1546	1453	221.83
9	B₂	536	504	29.66

Atom	x (Å)	y (Å)	z (Å)
S1	0.000	0.000	0.166
O2	0.000	1.250	0.814
O3	0.000	-1.250	0.814
F4	1.133	0.000	-0.871
F5	-1.133	0.000	-0.871

	S1	O2	O3	F4	F5
S1		1.4077	1.4077	1.5363	1.5363
O2	1.4077		2.5001	2.3843	2.3843
O3	1.4077	2.5001		2.3843	2.3843
F4	1.5363	2.3843	2.3843		2.2669
F5	1.5363	2.3843	2.3843	2.2669

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
O2	S1	O3	125.244	O2	S1	F4	108.085
O2	S1	F5	108.085	O3	S1	F4	108.085
O3	S1	F5	108.085	F4	S1	F5	95.083

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

using model chemistry: MP2=FULL/6-31G(2df,p)

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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for SO2F2 (Sulfuryl fluoride)

using model chemistry: MP2=FULL/6-31G(2df,p)

States and conformations

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