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	hartrees
Energy at 0K	-695.717129
Energy at 298.15K	-695.718547
HF Energy	-695.717129
Nuclear repulsion energy	191.130184

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	940	854	127.67
2	A'	656	596	19.59
3	A'	395	359	26.57
4	A'	213	193	13.71
5	A"	782	710	587.35
6	A"	489	444	3.31

Atom	x (Å)	y (Å)	z (Å)
S1	-0.324	-0.206	0.000
F2	1.224	0.102	0.000
F3	-0.324	0.132	1.630
F4	-0.324	0.132	-1.630

	S1	F2	F3	F4
S1		1.5785	1.6643	1.6643
F2	1.5785		2.2480	2.2480
F3	1.6643	2.2480		3.2594
F4	1.6643	2.2480	3.2594

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
F2	S1	F3	87.730		F2	S1	F4	87.730
F3	S1	F4	156.574

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

using model chemistry: HF/cc-pVDZ

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	1.224
2	F	-0.328
3	F	-0.448
4	F	-0.448

	x	y	z	Total
	-1.030	-0.815	0.000	1.313
CHELPG
AIM
ESP

	x	y	z
x	2.389	0.023	0.000
y	0.023	1.691	0.000
z	0.000	0.000	3.750

<r²>	83.789
(<r²>)^1/2	9.154

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

using model chemistry: HF/cc-pVDZ

States and conformations

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