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	hartrees
Energy at 0K	-953.016866
Energy at 298.15K	-953.017153
HF Energy	-952.935983
Nuclear repulsion energy	133.900887

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	768	768	34.63
2	A'	422	422	21.21
3	A'	191	191	2.30

Atom	x (Å)	y (Å)
S1	0.000	0.919
F2	1.672	0.598
Cl3	-0.885	-1.181

	S1	F2	Cl3
S1		1.7027	2.2790
F2	1.7027		3.1153
Cl3	2.2790	3.1153

Number	Element	Mulliken
1	S	0.471
2	F	-0.293
3	Cl	-0.178

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

using model chemistry: B2PLYP/3-21G

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
	-0.399	1.596	0.000	1.645
CHELPG
AIM
ESP

	x	y	z
x	4.056	2.162	0.000
y	2.162	6.061	0.000
z	0.000	0.000	1.058

<r²>	98.164
(<r²>)^1/2	9.908