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	hartrees
Energy at 0K	-688.771394
Energy at 298.15K	-688.772251
HF Energy	-688.771394
Nuclear repulsion energy	180.142889

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	868	763	8.36
2	A'	597	525	3.99
3	A'	285	251	6.32
4	A'	237	209	4.32
5	A"	585	514	27.82
6	A"	365	321	3.88

Atom	x (Å)	y (Å)	z (Å)
S1	-0.337	-0.330	0.000
F2	1.274	0.213	0.000
F3	-0.337	0.187	1.695
F4	-0.337	0.187	-1.695

	S1	F2	F3	F4
S1		1.6998	1.7719	1.7719
F2	1.6998		2.3384	2.3384
F3	1.7719	2.3384		3.3901
F4	1.7719	2.3384	3.3901

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	84.659		F2	S1	F4	84.659
F3	S1	F4	146.116

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

using model chemistry: mPW1PW91/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	0.455
2	F	-0.143
3	F	-0.156
4	F	-0.156

	x	y	z	Total
	-0.441	-0.473	0.000	0.646
CHELPG
AIM
ESP

	x	y	z
x	1.559	0.254	0.000
y	0.254	0.480	0.000
z	0.000	0.000	3.714

<r²>	87.720
(<r²>)^1/2	9.366

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

using model chemistry: mPW1PW91/STO-3G

States and conformations

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