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	hartrees
Energy at 0K	-958.191217
Energy at 298.15K	-958.191594
HF Energy	-958.191217
Nuclear repulsion energy	141.499125

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	723	725	74.39
2	A'	480	481	44.60
3	A'	229	230	1.49

Atom	x (Å)	y (Å)
S1	0.000	0.846
F2	1.646	0.489
Cl3	-0.871	-1.055

	S1	F2	Cl3
S1		1.6840	2.0911
F2	1.6840		2.9531
Cl3	2.0911	2.9531

Number	Element	Mulliken
1	S	0.351
2	F	-0.258
3	Cl	-0.094

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

using model chemistry: BLYP/cc-pVDZ

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
	-0.843	0.702	0.000	1.097
CHELPG
AIM
ESP

	x	y	z
x	4.273	1.491	0.000
y	1.491	5.205	0.000
z	0.000	0.000	2.011

<r²>	88.291
(<r²>)^1/2	9.396