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	hartrees
Energy at 0K	-958.157968
Energy at 298.15K	-958.158474
HF Energy	-958.157968
Nuclear repulsion energy	146.665739

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	803	803	97.45
2	A'	538	538	55.79
3	A'	274	274	3.41

Atom	x (Å)	y (Å)
S1	0.000	0.837
F2	1.573	0.428
Cl3	-0.833	-1.014

	S1	F2	Cl3
S1		1.6251	2.0300
F2	1.6251		2.8045
Cl3	2.0300	2.8045

Number	Element	Mulliken
1	S	0.459
2	F	-0.337
3	Cl	-0.123

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

using model chemistry: M06-2X/6-311G*

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
	-0.998	0.899	0.000	1.343
CHELPG
AIM
ESP

	x	y	z
x	3.872	1.300	0.000
y	1.300	5.043	0.000
z	0.000	0.000	2.083

<r²>	83.468
(<r²>)^1/2	9.136