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	hartrees
Energy at 0K	-695.222018
Energy at 298.15K	-695.223115
HF Energy	-695.222018
Nuclear repulsion energy	189.506208

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	846	830	80.32
2	A'	603	592	5.79
3	A'	340	334	9.71
4	A'	118	116	4.99
5	A"	787	772	326.27
6	A"	436	428	2.27

Atom	x (Å)	y (Å)	z (Å)
S1	-0.318	-0.205	0.000
F2	1.201	0.306	0.000
F3	-0.318	0.029	1.656
F4	-0.318	0.029	-1.656

	S1	F2	F3	F4
S1		1.6022	1.6723	1.6723
F2	1.6022		2.2639	2.2639
F3	1.6723	2.2639		3.3118
F4	1.6723	2.2639	3.3118

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.452		F2	S1	F4	87.452
F3	S1	F4	163.949

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

using model chemistry: SVWN/6-31G*

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	0.879
2	F	-0.253
3	F	-0.313
4	F	-0.313

	x	y	z	Total
	-0.516	-0.466	0.000	0.696
CHELPG
AIM
ESP

	x	y	z
x	2.828	0.189	0.000
y	0.189	2.156	0.000
z	0.000	0.000	4.540

<r²>	84.305
(<r²>)^1/2	9.182

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

using model chemistry: SVWN/6-31G*

States and conformations

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