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	hartrees
Energy at 0K	-957.874455
Energy at 298.15K	-957.874922
HF Energy	-957.709705
Nuclear repulsion energy	144.370566

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	766	766	97.28
2	A'	529	529	46.05
3	A'	254	254	1.69

Atom	x (Å)	y (Å)
S1	0.000	0.840
F2	1.614	0.434
Cl3	-0.854	-1.020

	S1	F2	Cl3
S1		1.6641	2.0471
F2	1.6641		2.8643
Cl3	2.0471	2.8643

Number	Element	Mulliken
1	S	0.592
2	F	-0.425
3	Cl	-0.168

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

using model chemistry: B2PLYP/aug-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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You are here: Calculated > Energy > Optimized > Energy

	x	y	z	Total
	-0.931	0.560	0.000	1.087
CHELPG
AIM
ESP

	x	y	z
x	5.738	1.166	0.000
y	1.166	6.456	0.000
z	0.000	0.000	4.195

<r²>	85.490
(<r²>)^1/2	9.246