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	hartrees
Energy at 0K	-673.101500
Energy at 298.15K	-673.104703
HF Energy	-673.101500
Nuclear repulsion energy	188.430112

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1273	1254	137.86
2	A'	735	724	157.76
3	A'	475	467	19.02
4	A'	323	318	1.98
5	A"	670	660	198.13
6	A"	359	354	1.69

Atom	x (Å)	y (Å)	z (Å)
S1	0.250	0.368	0.000
O2	-1.063	0.967	0.000
F3	0.250	-0.757	1.197
F4	0.250	-0.757	-1.197

	S1	O2	F3	F4
S1		1.4438	1.6418	1.6418
O2	1.4438		2.4755	2.4755
F3	1.6418	2.4755		2.3933
F4	1.6418	2.4755	2.3933

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.520		O2	S1	F4	106.520
F3	S1	F4	93.579

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

using model chemistry: B97D3/aug-cc-pVTZ

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	1.408
2	O	-0.587
3	F	-0.410
4	F	-0.410

	x	y	z	Total
	1.482	0.689	0.000	1.634
CHELPG
AIM
ESP

	x	y	z
x	4.055	-0.622	0.000
y	-0.622	4.335	0.000
z	0.000	0.000	4.287

<r²>	74.519
(<r²>)^1/2	8.632

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

using model chemistry: B97D3/aug-cc-pVTZ

States and conformations

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