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	hartrees
Energy at 0K	-947.435107
Energy at 298.15K	-947.435567
HF Energy	-947.435107
Nuclear repulsion energy	141.341469

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	925	817	16.07
2	A'	581	513	27.00
3	A'	264	233	3.47

Atom	x (Å)	y (Å)
S1	0.000	0.881
F2	1.611	0.451
Cl3	-0.853	-1.068

	S1	F2	Cl3
S1		1.6674	2.1271
F2	1.6674		2.8944
Cl3	2.1271	2.8944

Number	Element	Mulliken
1	S	0.344
2	F	-0.106
3	Cl	-0.238

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

using model chemistry: B1B95/STO-3G

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
	0.797	1.916	0.000	2.075
CHELPG
AIM
ESP

	x	y	z
x	2.435	1.205	0.000
y	1.205	2.940	0.000
z	0.000	0.000	0.160

<r²>	86.133
(<r²>)^1/2	9.281