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	hartrees
Energy at 0K	-688.790019
Energy at 298.15K	-688.790857
HF Energy	-688.790019
Nuclear repulsion energy	182.060490

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	933	933	7.20
2	A'	619	619	3.72
3	A'	302	302	6.89
4	A'	258	258	6.29
5	A"	476	476	18.20
6	A"	347	347	15.69

Atom	x (Å)	y (Å)	z (Å)
S1	-0.334	-0.330	0.000
F2	1.263	0.190	0.000
F3	-0.334	0.198	1.674
F4	-0.334	0.198	-1.674

	S1	F2	F3	F4
S1		1.6791	1.7554	1.7554
F2	1.6791		2.3135	2.3135
F3	1.7554	2.3135		3.3482
F4	1.7554	2.3135	3.3482

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	84.660		F2	S1	F4	84.660
F3	S1	F4	144.996

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

using model chemistry: M06-2X/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	0.492
2	F	-0.156
3	F	-0.168
4	F	-0.168

	x	y	z	Total
	-0.488	-0.506	0.000	0.703
CHELPG
AIM
ESP

	x	y	z
x	1.502	0.241	0.000
y	0.241	0.452	0.000
z	0.000	0.000	3.496

<r²>	86.202
(<r²>)^1/2	9.284

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

using model chemistry: M06-2X/STO-3G

States and conformations

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