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	hartrees
Energy at 0K	-958.183941
Energy at 298.15K	-958.184469
HF Energy	-958.183941
Nuclear repulsion energy	148.133153

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	821	784	86.63
2	A'	563	538	47.18
3	A'	272	259	1.54

Atom	x (Å)	y (Å)
S1	0.000	0.817
F2	1.563	0.457
Cl3	-0.827	-1.011

	S1	F2	Cl3
S1		1.6036	2.0060
F2	1.6036		2.8052
Cl3	2.0060	2.8052

Number	Element	Mulliken
1	S	0.238
2	F	-0.156
3	Cl	-0.082

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

using model chemistry: mPW1PW91/6-31G(2df,p)

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
	-0.509	0.478	0.000	0.699
CHELPG
AIM
ESP

	x	y	z
x	4.504	1.184	0.000
y	1.184	5.485	0.000
z	0.000	0.000	3.167

<r²>	81.814
(<r²>)^1/2	9.045