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	hartrees
Energy at 0K	-695.250921
Energy at 298.15K	-695.251888
HF Energy	-695.250921
Nuclear repulsion energy	186.521876

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	828	819	84.63
2	A'	586	580	3.84
3	A'	320	316	10.06
4	A'	71	70	6.49
5	A"	769	760	342.39
6	A"	415	411	1.94

Atom	x (Å)	y (Å)	z (Å)
S1	-0.297	-0.221	0.000
F2	1.121	0.566	0.000
F3	-0.297	-0.087	1.694
F4	-0.297	-0.087	-1.694

	S1	F2	F3	F4
S1		1.6216	1.6996	1.6996
F2	1.6216		2.3037	2.3037
F3	1.6996	2.3037		3.3887
F4	1.6996	2.3037	3.3887

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.803		F2	S1	F4	87.803
F3	S1	F4	170.934

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

using model chemistry: LSDA/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	0.773
2	F	-0.205
3	F	-0.284
4	F	-0.284

	x	y	z	Total
	-0.609	-0.528	0.000	0.806
CHELPG
AIM
ESP

	x	y	z
x	2.503	0.413	0.000
y	0.413	1.919	0.000
z	0.000	0.000	4.672

<r²>	87.060
(<r²>)^1/2	9.331

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

using model chemistry: LSDA/cc-pVDZ

States and conformations

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