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	hartrees
Energy at 0K	-953.442519
Energy at 298.15K	-953.442844
HF Energy	-953.442519
Nuclear repulsion energy	135.436917

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	794	758	38.68
2	A'	442	422	24.23
3	A'	199	190	2.33

Atom	x (Å)	y (Å)
S1	0.000	0.908
F2	1.660	0.576
Cl3	-0.879	-1.159

	S1	F2	Cl3
S1		1.6929	2.2457
F2	1.6929		3.0748
Cl3	2.2457	3.0748

Number	Element	Mulliken
1	S	0.467
2	F	-0.293
3	Cl	-0.173

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

using model chemistry: mPW1PW91/3-21G

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
	-0.382	1.512	0.000	1.560
CHELPG
AIM
ESP

	x	y	z
x	3.942	2.036	0.000
y	2.036	5.845	0.000
z	0.000	0.000	1.088

<r²>	96.052
(<r²>)^1/2	9.801