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	hartrees
Energy at 0K	-958.299716
Energy at 298.15K	-958.300195
HF Energy	-958.299716
Nuclear repulsion energy	146.915362

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	764	764	107.58
2	A'	530	530	47.49
3	A'	264	264	1.43

Atom	x (Å)	y (Å)
S1	0.000	0.823
F2	1.581	0.451
Cl3	-0.837	-1.013

	S1	F2	Cl3
S1		1.6238	2.0177
F2	1.6238		2.8260
Cl3	2.0177	2.8260

Number	Element	Mulliken
1	S	0.263
2	F	-0.194
3	Cl	-0.070

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

using model chemistry: B3LYPultrafine/6-311+G(3df,2p)

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
	-0.775	0.423	0.000	0.883
CHELPG
AIM
ESP

	x	y	z
x	5.563	1.143	0.000
y	1.143	6.437	0.000
z	0.000	0.000	4.276

<r²>	83.309
(<r²>)^1/2	9.127