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	hartrees
Energy at 0K	-958.278593
Energy at 298.15K	-958.279030
HF Energy	-958.278593
Nuclear repulsion energy	145.336905

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	737	726	101.12
2	A'	502	494	46.57
3	A'	255	251	1.03

Atom	x (Å)	y (Å)
S1	0.000	0.827
F2	1.602	0.464
Cl3	-0.848	-1.024

	S1	F2	Cl3
S1		1.6422	2.0362
F2	1.6422		2.8664
Cl3	2.0362	2.8664

Number	Element	Mulliken
1	S	0.500
2	F	-0.399
3	Cl	-0.101

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

using model chemistry: B97D3/aug-cc-pVTZ

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
	-0.738	0.414	0.000	0.846
CHELPG
AIM
ESP

	x	y	z
x	5.942	1.195	0.000
y	1.195	6.768	0.000
z	0.000	0.000	4.571

<r²>	84.668
(<r²>)^1/2	9.201