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	hartrees
Energy at 0K	-687.161420
Energy at 298.15K	-687.161171
HF Energy	-687.161420
Nuclear repulsion energy	159.456367

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1048	856	1.83
2	A	1038	848	7.12
3	A	380	311	7.62
4	A	49	40	0.06
5	A	29	24	0.29
6	A	18	14	0.37

Atom	x (Å)	y (Å)	z (Å)
S1	0.542	-0.530	-0.029
F2	-0.281	0.889	-0.037
F3	2.015	0.191	0.054
F4	-2.697	-0.139	0.034

	S1	F2	F3	F4
S1		1.6401	1.6424	3.2627
F2	1.6401		2.4009	2.6270
F3	1.6424	2.4009		4.7235
F4	3.2627	2.6270	4.7235

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	94.011		F2	S1	F4	53.045
F3	S1	F4	146.804

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

using model chemistry: HF/STO-3G

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	0.398
2	F	-0.200
3	F	-0.198
4	F	0.000

	x	y	z	Total
	-0.246	-0.832	-0.029	0.868
CHELPG
AIM
ESP

	x	y	z
x	1.906	-0.143	0.073
y	-0.143	1.364	0.014
z	0.073	0.014	0.170

<r²>	134.016
(<r²>)^1/2	11.577

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

using model chemistry: HF/STO-3G

States and conformations

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