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	hartrees
Energy at 0K	-957.784141
Energy at 298.15K	-957.784529
HF Energy	-957.784141
Nuclear repulsion energy	143.516874

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	706	699	83.33
2	A'	489	484	57.26
3	A'	241	238	2.00

Atom	x (Å)	y (Å)
S1	0.000	0.836
F2	1.623	0.473
Cl3	-0.859	-1.037

	S1	F2	Cl3
S1		1.6630	2.0614
F2	1.6630		2.9050
Cl3	2.0614	2.9050

Number	Element	Mulliken
1	S	0.394
2	F	-0.287
3	Cl	-0.108

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

using model chemistry: PBEPBEultrafine/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
	-0.905	0.707	0.000	1.148
CHELPG
AIM
ESP

	x	y	z
x	4.236	1.482	0.000
y	1.482	5.303	0.000
z	0.000	0.000	2.102

<r²>	86.791
(<r²>)^1/2	9.316