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	hartrees
Energy at 0K	-953.288304
Energy at 298.15K	-953.288785
HF Energy	-953.288304
Nuclear repulsion energy	146.642676

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	833	800	57.69
2	A'	531	510	52.93
3	A'	250	240	2.62

Atom	x (Å)	y (Å)
S1	0.000	0.815
F2	1.590	0.472
Cl3	-0.842	-1.017

	S1	F2	Cl3
S1		1.6267	2.0159
F2	1.6267		2.8510
Cl3	2.0159	2.8510

Number	Element	Mulliken
1	S	0.419
2	F	-0.278
3	Cl	-0.141

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

using model chemistry: PBE1PBE/3-21G

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
	-0.596	0.747	0.000	0.955
CHELPG
AIM
ESP

	x	y	z
x	3.706	1.330	0.000
y	1.330	4.640	0.000
z	0.000	0.000	1.874

<r²>	83.682
(<r²>)^1/2	9.148