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	hartrees
Energy at 0K	-672.800548
Energy at 298.15K	-672.803426
HF Energy	-672.800548
Nuclear repulsion energy	175.686199

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1055	999	80.36
2	A'	715	677	86.66
3	A'	379	359	32.12
4	A'	239	226	4.37
5	A"	686	650	106.17
6	A"	279	264	6.78

Atom	x (Å)	y (Å)	z (Å)
S1	0.275	0.403	0.000
O2	-1.167	1.017	0.000
F3	0.275	-0.810	1.269
F4	0.275	-0.810	-1.269

	S1	O2	F3	F4
S1		1.5669	1.7554	1.7554
O2	1.5669		2.6505	2.6505
F3	1.7554	2.6505		2.5384
F4	1.7554	2.6505	2.5384

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	105.700		O2	S1	F4	105.700
F3	S1	F4	92.611

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

using model chemistry: mPW1PW91/6-31G

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	1.245
2	O	-0.523
3	F	-0.361
4	F	-0.361

	x	y	z	Total
	2.189	1.589	0.000	2.705
CHELPG
AIM
ESP

	x	y	z
x	3.053	-1.161	0.000
y	-1.161	3.451	0.000
z	0.000	0.000	3.415

<r²>	83.395
(<r²>)^1/2	9.132

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

using model chemistry: mPW1PW91/6-31G

States and conformations

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