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	hartrees
Energy at 0K	-671.195868
Energy at 298.15K	-671.199418
HF Energy	-671.195868
Nuclear repulsion energy	193.443184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1427	1295	241.51
2	A'	907	823	228.05
3	A'	574	521	47.62
4	A'	404	366	9.07
5	A"	853	775	246.69
6	A"	422	383	9.41

Atom	x (Å)	y (Å)	z (Å)
S1	0.247	0.362	0.000
O2	-1.048	0.944	0.000
F3	0.247	-0.741	1.151
F4	0.247	-0.741	-1.151

	S1	O2	F3	F4
S1		1.4197	1.5945	1.5945
O2	1.4197		2.4171	2.4171
F3	1.5945	2.4171		2.3016
F4	1.5945	2.4171	2.3016

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	S1	F3	106.483		O2	S1	F4	106.483
F3	S1	F4	92.399

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

using model chemistry: HF/cc-pVDZ

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	1.271
2	O	-0.509
3	F	-0.381
4	F	-0.381

	x	y	z	Total
	2.155	0.870	0.000	2.324
CHELPG
AIM
ESP

	x	y	z
x	2.408	-0.621	0.000
y	-0.621	2.626	0.000
z	0.000	0.000	2.641

<r²>	71.533
(<r²>)^1/2	8.458

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

using model chemistry: HF/cc-pVDZ

States and conformations

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