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	hartrees
Energy at 0K	-958.253403
Energy at 298.15K	-958.253837
HF Energy	-958.253403
Nuclear repulsion energy	144.771204

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	737	737	87.56
2	A'	505	505	58.00
3	A'	252	252	2.44

Atom	x (Å)	y (Å)
S1	0.000	0.835
F2	1.604	0.459
Cl3	-0.849	-1.028

	S1	F2	Cl3
S1		1.6476	2.0475
F2	1.6476		2.8687
Cl3	2.0475	2.8687

Number	Element	Mulliken
1	S	0.428
2	F	-0.310
3	Cl	-0.118

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

using model chemistry: TPSSh/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
	-0.944	0.762	0.000	1.213
CHELPG
AIM
ESP

	x	y	z
x	4.089	1.403	0.000
y	1.403	5.140	0.000
z	0.000	0.000	2.053

<r²>	85.403
(<r²>)^1/2	9.241