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	hartrees
Energy at 0K	-953.756830
Energy at 298.15K	-953.757308
HF Energy	-953.756830
Nuclear repulsion energy	146.891165

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	836	800	58.34
2	A'	528	505	52.95
3	A'	249	238	2.67

Atom	x (Å)	y (Å)
S1	0.000	0.815
F2	1.586	0.469
Cl3	-0.840	-1.015

	S1	F2	Cl3
S1		1.6234	2.0136
F2	1.6234		2.8438
Cl3	2.0136	2.8438

Number	Element	Mulliken
1	S	0.421
2	F	-0.281
3	Cl	-0.140

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

using model chemistry: B1B95/3-21G

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
	-0.624	0.758	0.000	0.982
CHELPG
AIM
ESP

	x	y	z
x	3.686	1.322	0.000
y	1.322	4.621	0.000
z	0.000	0.000	1.876

<r²>	83.347
(<r²>)^1/2	9.129