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	hartrees
Energy at 0K	-957.779704
Energy at 298.15K	-957.780181
HF Energy	-957.638608
Nuclear repulsion energy	145.797577

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	807	766	84.26
2	A'	536	509	50.45
3	A'	257	244	2.50

Atom	x (Å)	y (Å)
S1	0.000	0.830
F2	1.591	0.457
Cl3	-0.842	-1.023

	S1	F2	Cl3
S1		1.6341	2.0349
F2	1.6341		2.8476
Cl3	2.0349	2.8476

Number	Element	Mulliken
1	S	0.468
2	F	-0.337
3	Cl	-0.130

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

using model chemistry: B2PLYP/6-31G*

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
	-0.721	0.787	0.000	1.067
CHELPG
AIM
ESP

	x	y	z
x	3.984	1.345	0.000
y	1.345	4.997	0.000
z	0.000	0.000	2.255

<r²>	84.198
(<r²>)^1/2	9.176