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	hartrees
Energy at 0K	-958.274834
Energy at 298.15K	-958.275240
HF Energy	-958.274834
Nuclear repulsion energy	144.407644

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	714	714	101.70
2	A'	493	493	47.02
3	A'	247	247	1.13

Atom	x (Å)	y (Å)
S1	0.000	0.830
F2	1.612	0.476
Cl3	-0.853	-1.033

	S1	F2	Cl3
S1		1.6503	2.0498
F2	1.6503		2.8903
Cl3	2.0498	2.8903

Number	Element	Mulliken
1	S	0.289
2	F	-0.214
3	Cl	-0.076

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

using model chemistry: BLYP/Def2TZVPP

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
	-0.845	0.452	0.000	0.959
CHELPG
AIM
ESP

	x	y	z
x	4.942	1.342	0.000
y	1.342	5.879	0.000
z	0.000	0.000	2.965

<r²>	85.644
(<r²>)^1/2	9.254