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	hartrees
Energy at 0K	-958.258677
Energy at 298.15K	-958.259100
HF Energy	-958.258677
Nuclear repulsion energy	144.230089

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	734	710	89.43
2	A'	497	481	56.79
3	A'	252	244	2.37

Atom	x (Å)	y (Å)
S1	0.000	0.841
F2	1.604	0.464
Cl3	-0.849	-1.037

	S1	F2	Cl3
S1		1.6479	2.0610
F2	1.6479		2.8761
Cl3	2.0610	2.8761

Number	Element	Mulliken
1	S	0.446
2	F	-0.322
3	Cl	-0.125

All results from a given calculation for SFCl (Sulfur chloride fluoride)

using model chemistry: B3LYPultrafine/6-311G*

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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.992	0.871	0.000	1.320
CHELPG
AIM
ESP

	x	y	z
x	4.070	1.420	0.000
y	1.420	5.246	0.000
z	0.000	0.000	2.073

<r²>	86.059
(<r²>)^1/2	9.277