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	hartrees
Energy at 0K	-697.199610
Energy at 298.15K	-697.200497
HF Energy	-697.199610
Nuclear repulsion energy	184.040622

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	772	763	101.31
2	A'	529	523	8.88
3	A'	299	296	11.41
4	A'	108	107	10.11
5	A"	673	665	450.54
6	A"	398	393	0.32

Atom	x (Å)	y (Å)	z (Å)
S1	-0.333	-0.160	0.000
F2	1.260	0.200	0.000
F3	-0.333	0.042	1.713
F4	-0.333	0.042	-1.713

	S1	F2	F3	F4
S1		1.6336	1.7254	1.7254
F2	1.6336		2.3450	2.3450
F3	1.7254	2.3450		3.4269
F4	1.7254	2.3450	3.4269

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.511		F2	S1	F4	88.511
F3	S1	F4	166.492

All results from a given calculation for SF₃ (Sulfur trifluoride)

using model chemistry: PBEPBE/6-31+G**

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	0.993
2	F	-0.273
3	F	-0.360
4	F	-0.360

	x	y	z	Total
	-0.734	-0.548	0.000	0.916
CHELPG
AIM
ESP

	x	y	z
x	3.626	0.161	0.000
y	0.161	2.734	0.000
z	0.000	0.000	6.135

<r²>	89.853
(<r²>)^1/2	9.479

All results from a given calculation for SF3 (Sulfur trifluoride)

using model chemistry: PBEPBE/6-31+G**

States and conformations

All results from a given calculation for SF₃ (Sulfur trifluoride)