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	hartrees
Energy at 0K	-697.789499
Energy at 298.15K	-697.790602
HF Energy	-697.789499
Nuclear repulsion energy	188.698985

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	834	806	105.67
2	A'	565	546	9.67
3	A'	347	335	12.57
4	A'	135	130	7.70
5	A"	696	672	485.31
6	A"	448	433	0.23

Atom	x (Å)	y (Å)	z (Å)
S1	-0.324	-0.175	0.000
F2	1.225	0.181	0.000
F3	-0.324	0.065	1.670
F4	-0.324	0.065	-1.670

	S1	F2	F3	F4
S1		1.5897	1.6869	1.6869
F2	1.5897		2.2809	2.2809
F3	1.6869	2.2809		3.3396
F4	1.6869	2.2809	3.3396

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	88.180		F2	S1	F4	88.180
F3	S1	F4	163.663

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

using model chemistry: B3LYP/cc-pVTZ

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	0.808
2	F	-0.192
3	F	-0.308
4	F	-0.308

	x	y	z	Total
	-0.590	-0.516	0.000	0.784
CHELPG
AIM
ESP

	x	y	z
x	3.071	0.133	0.000
y	0.133	2.312	0.000
z	0.000	0.000	4.849

<r²>	85.734
(<r²>)^1/2	9.259

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

using model chemistry: B3LYP/cc-pVTZ

States and conformations

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