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	hartrees
Energy at 0K	-673.025888
Energy at 298.15K	-673.029295
HF Energy	-673.025888
Nuclear repulsion energy	193.687194

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1365	1303	139.50
2	A'	834	796	151.26
3	A'	530	506	21.18
4	A'	369	353	3.21
5	A"	783	747	171.37
6	A"	391	373	4.03

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.356	0.000
O2	-1.048	0.947	0.000
F3	0.247	-0.737	1.152
F4	0.247	-0.737	-1.152

	S1	O2	F3	F4
S1		1.4237	1.5879	1.5879
O2	1.4237		2.4167	2.4167
F3	1.5879	2.4167		2.3041
F4	1.5879	2.4167	2.3041

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.604		O2	S1	F4	106.604
F3	S1	F4	93.022

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

using model chemistry: mPW1PW91/6-31G(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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Number	Element	Mulliken
1	S	0.441
2	O	-0.199
3	F	-0.121
4	F	-0.121

	x	y	z	Total
	1.530	0.185	0.000	1.541
CHELPG
AIM
ESP

	x	y	z
x	3.151	-0.521	0.000
y	-0.521	3.310	0.000
z	0.000	0.000	3.303

<r²>	70.696
(<r²>)^1/2	8.408

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

using model chemistry: mPW1PW91/6-31G(2df,p)

States and conformations

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