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	hartrees
Energy at 0K	-697.640779
Energy at 298.15K	-697.641956
HF Energy	-697.640779
Nuclear repulsion energy	190.971158

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	852	852	108.18
2	A'	579	579	9.93
3	A'	364	364	11.82
4	A'	138	138	5.99
5	A"	725	725	502.88
6	A"	468	468	0.55

Atom	x (Å)	y (Å)	z (Å)
S1	-0.320	-0.175	0.000
F2	1.210	0.203	0.000
F3	-0.320	0.054	1.648
F4	-0.320	0.054	-1.648

	S1	F2	F3	F4
S1		1.5757	1.6643	1.6643
F2	1.5757		2.2539	2.2539
F3	1.6643	2.2539		3.2970
F4	1.6643	2.2539	3.2970

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.113		F2	S1	F4	88.113
F3	S1	F4	164.210

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

using model chemistry: B3PW91/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	0.710
2	F	-0.160
3	F	-0.275
4	F	-0.275

	x	y	z	Total
	-0.493	-0.436	0.000	0.658
CHELPG
AIM
ESP

	x	y	z
x	3.046	0.128	0.000
y	0.128	2.368	0.000
z	0.000	0.000	4.660

<r²>	83.870
(<r²>)^1/2	9.158

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

using model chemistry: B3PW91/cc-pCVTZ

States and conformations

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