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	hartrees
Energy at 0K	-688.763760
Energy at 298.15K	-688.764597
HF Energy	-688.763760
Nuclear repulsion energy	179.171515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	843	752	8.12
2	A'	587	524	4.04
3	A'	282	252	6.17
4	A'	228	203	3.74
5	A"	607	542	30.80
6	A"	361	323	3.24

Atom	x (Å)	y (Å)	z (Å)
S1	-0.337	-0.338	0.000
F2	1.272	0.248	0.000
F3	-0.337	0.176	1.706
F4	-0.337	0.176	-1.706

	S1	F2	F3	F4
S1		1.7118	1.7815	1.7815
F2	1.7118		2.3457	2.3457
F3	1.7815	2.3457		3.4118
F4	1.7815	2.3457	3.4118

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	84.340		F2	S1	F4	84.340
F3	S1	F4	146.491

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

using model chemistry: B3LYP/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	0.445
2	F	-0.140
3	F	-0.153
4	F	-0.153

	x	y	z	Total
	-0.434	-0.484	0.000	0.650
CHELPG
AIM
ESP

	x	y	z
x	1.578	0.286	0.000
y	0.286	0.507	0.000
z	0.000	0.000	3.785

<r²>	88.477
(<r²>)^1/2	9.406

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

using model chemistry: B3LYP/STO-3G

States and conformations

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