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	hartrees
Energy at 0K	-958.211027
Energy at 298.15K	-958.211574
HF Energy	-958.211027
Nuclear repulsion energy	148.147460

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	840	802	109.87
2	A'	563	538	48.59
3	A'	279	266	2.16

Atom	x (Å)	y (Å)
S1	0.000	0.825
F2	1.559	0.432
Cl3	-0.825	-1.005

	S1	F2	Cl3
S1		1.6078	2.0083
F2	1.6078		2.7841
Cl3	2.0083	2.7841

Number	Element	Mulliken
1	S	0.322
2	F	-0.244
3	Cl	-0.078

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

using model chemistry: M06-2X/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
	-0.799	0.565	0.000	0.978
CHELPG
AIM
ESP

	x	y	z
x	4.518	1.196	0.000
y	1.196	5.595	0.000
z	0.000	0.000	2.945

<r²>	81.814
(<r²>)^1/2	9.045