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	hartrees
Energy at 0K	-697.730337
Energy at 298.15K	-697.731564
HF Energy	-697.730337
Nuclear repulsion energy	191.876609

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	868	868	110.19
2	A'	590	590	10.69
3	A'	373	373	12.44
4	A'	148	148	5.88
5	A"	737	737	514.85
6	A"	477	477	0.81

Atom	x (Å)	y (Å)	z (Å)
S1	-0.319	-0.180	0.000
F2	1.205	0.197	0.000
F3	-0.319	0.062	1.639
F4	-0.319	0.062	-1.639

	S1	F2	F3	F4
S1		1.5697	1.6564	1.6564
F2	1.5697		2.2417	2.2417
F3	1.6564	2.2417		3.2773
F4	1.6564	2.2417	3.2773

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.991		F2	S1	F4	87.991
F3	S1	F4	163.208

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

using model chemistry: mPW1PW91/cc-pCVTZ

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	0.711
2	F	-0.160
3	F	-0.275
4	F	-0.275

	x	y	z	Total
	-0.488	-0.447	0.000	0.662
CHELPG
AIM
ESP

	x	y	z
x	3.012	0.119	0.000
y	0.119	2.362	0.000
z	0.000	0.000	4.556

<r²>	83.159
(<r²>)^1/2	9.119

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

using model chemistry: mPW1PW91/cc-pCVTZ

States and conformations

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