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	hartrees
Energy at 0K	-957.869502
Energy at 298.15K	-957.869948
HF Energy	-957.714285
Nuclear repulsion energy	145.067674

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	742	742	87.82
2	A'	514	514	56.98
3	A'	259	259	2.67

Atom	x (Å)	y (Å)
S1	0.000	0.837
F2	1.597	0.452
Cl3	-0.846	-1.027

	S1	F2	Cl3
S1		1.6429	2.0466
F2	1.6429		2.8553
Cl3	2.0466	2.8553

Number	Element	Mulliken
1	S	0.456
2	F	-0.330
3	Cl	-0.126

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

using model chemistry: B2PLYP/6-311G*

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
	-1.012	0.870	0.000	1.335
CHELPG
AIM
ESP

	x	y	z
x	4.016	1.376	0.000
y	1.376	5.129	0.000
z	0.000	0.000	2.046

<r²>	85.212
(<r²>)^1/2	9.231