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	hartrees
Energy at 0K	-669.654663
Energy at 298.15K	-669.658049
HF Energy	-669.654663
Nuclear repulsion energy	191.381920

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1352	1284	127.65
2	A'	871	827	133.79
3	A'	512	487	32.26
4	A'	351	334	5.43
5	A"	840	797	147.65
6	A"	378	359	8.02

Atom	x (Å)	y (Å)	z (Å)
S1	0.249	0.361	0.000
O2	-1.059	0.968	0.000
F3	0.249	-0.751	1.160
F4	0.249	-0.751	-1.160

	S1	O2	F3	F4
S1		1.4426	1.6064	1.6064
O2	1.4426		2.4520	2.4520
F3	1.6064	2.4520		2.3198
F4	1.6064	2.4520	2.3198

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.944		O2	S1	F4	106.944
F3	S1	F4	92.448

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

using model chemistry: mPW1PW91/3-21G*

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	1.042
2	O	-0.432
3	F	-0.305
4	F	-0.305

	x	y	z	Total
	1.771	0.514	0.000	1.844
CHELPG
AIM
ESP

	x	y	z
x	2.312	-0.659	0.000
y	-0.659	2.499	0.000
z	0.000	0.000	2.474

<r²>	72.200
(<r²>)^1/2	8.497

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

using model chemistry: mPW1PW91/3-21G*

States and conformations

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