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	hartrees
Energy at 0K	-957.685959
Energy at 298.15K	-957.686300
HF Energy	-957.685959
Nuclear repulsion energy	136.412937

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	752	719	44.55
2	A'	467	447	28.83
3	A'	207	198	2.95

Atom	x (Å)	y (Å)
S1	0.000	0.898
F2	1.686	0.481
Cl3	-0.892	-1.100

	S1	F2	Cl3
S1		1.7367	2.1887
F2	1.7367		3.0240
Cl3	2.1887	3.0240

Number	Element	Mulliken
1	S	0.496
2	F	-0.353
3	Cl	-0.144

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

using model chemistry: PBE1PBE/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
	-1.052	1.294	0.000	1.668
CHELPG
AIM
ESP

	x	y	z
x	4.307	1.844	0.000
y	1.844	5.653	0.000
z	0.000	0.000	1.400

<r²>	93.842
(<r²>)^1/2	9.687