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	hartrees
Energy at 0K	-958.193158
Energy at 298.15K	-958.193568
HF Energy	-958.193158
Nuclear repulsion energy	143.155414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	743	736	80.48
2	A'	490	486	48.04
3	A'	241	239	1.56

Atom	x (Å)	y (Å)
S1	0.000	0.837
F2	1.630	0.474
Cl3	-0.863	-1.038

	S1	F2	Cl3
S1		1.6696	2.0639
F2	1.6696		2.9152
Cl3	2.0639	2.9152

Number	Element	Mulliken
1	S	0.360
2	F	-0.268
3	Cl	-0.092

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

using model chemistry: B97D3/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
x	4.182	1.428	0.000
y	1.428	5.092	0.000
z	0.000	0.000	2.011

<r²>	86.466
(<r²>)^1/2	9.299