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	hartrees
Energy at 0K	-958.216347
Energy at 298.15K	-958.216884
HF Energy	-958.216347
Nuclear repulsion energy	148.130021

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	832	832	110.91
2	A'	562	562	46.18
3	A'	278	278	2.06

Atom	x (Å)	y (Å)
S1	0.000	0.826
F2	1.560	0.428
Cl3	-0.826	-1.004

	S1	F2	Cl3
S1		1.6103	2.0072
F2	1.6103		2.7825
Cl3	2.0072	2.7825

Number	Element	Mulliken
1	S	0.494
2	F	-0.452
3	Cl	-0.042

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

using model chemistry: M06-2X/daug-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
	-0.779	0.500	0.000	0.926
CHELPG
AIM
ESP

	x	y	z
x	5.590	1.073	0.000
y	1.073	6.532	0.000
z	0.000	0.000	4.433

<r²>	81.912
(<r²>)^1/2	9.051