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	hartrees
Energy at 0K	-958.174859
Energy at 298.15K	-958.175315
HF Energy	-958.174859
Nuclear repulsion energy	144.971844

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	797	766	85.08
2	A'	517	497	49.88
3	A'	250	240	2.19

Atom	x (Å)	y (Å)
S1	0.000	0.833
F2	1.596	0.476
Cl3	-0.845	-1.036

	S1	F2	Cl3
S1		1.6355	2.0510
F2	1.6355		2.8709
Cl3	2.0510	2.8709

Number	Element	Mulliken
1	S	0.448
2	F	-0.321
3	Cl	-0.127

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

using model chemistry: B3LYPultrafine/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
	-0.669	0.783	0.000	1.030
CHELPG
AIM
ESP

	x	y	z
x	4.016	1.387	0.000
y	1.387	5.095	0.000
z	0.000	0.000	2.270

<r²>	85.030
(<r²>)^1/2	9.221