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	hartrees
Energy at 0K	-672.764260
Energy at 298.15K	-672.767367
HF Energy	-672.764260
Nuclear repulsion energy	185.157826

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1245	1231	143.05
2	A'	711	703	163.70
3	A'	447	442	23.17
4	A'	301	298	2.71
5	A"	650	643	205.68
6	A"	339	335	2.00

Atom	x (Å)	y (Å)	z (Å)
S1	0.254	0.376	0.000
O2	-1.079	0.983	0.000
F3	0.254	-0.771	1.219
F4	0.254	-0.771	-1.219

	S1	O2	F3	F4
S1		1.4643	1.6737	1.6737
O2	1.4643		2.5178	2.5178
F3	1.6737	2.5178		2.4382
F4	1.6737	2.5178	2.4382

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.517		O2	S1	F4	106.517
F3	S1	F4	93.499

All results from a given calculation for F₂SO (Thionyl Fluoride)

using model chemistry: PBEPBE/TZVP

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	0.767
2	O	-0.288
3	F	-0.240
4	F	-0.240

	x	y	z	Total
	1.556	1.059	0.000	1.882
CHELPG
AIM
ESP

	x	y	z
x	3.335	-0.824	0.000
y	-0.824	3.619	0.000
z	0.000	0.000	3.534

<r²>	76.845
(<r²>)^1/2	8.766

All results from a given calculation for F2SO (Thionyl Fluoride)

using model chemistry: PBEPBE/TZVP

States and conformations

All results from a given calculation for F₂SO (Thionyl Fluoride)