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	hartrees
Energy at 0K	-956.464750
Energy at 298.15K	-956.465350
HF Energy	-956.464750
Nuclear repulsion energy	148.063542

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	882	802	141.14
2	A'	587	533	56.20
3	A'	301	274	3.81

Atom	x (Å)	y (Å)
S1	0.000	0.833
F2	1.547	0.440
Cl3	-0.819	-1.017

	S1	F2	Cl3
S1		1.5959	2.0224
F2	1.5959		2.7781
Cl3	2.0224	2.7781

Number	Element	Mulliken
1	S	0.428
2	F	-0.298
3	Cl	-0.131

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

using model chemistry: HF/TZVP

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
	-1.025	0.883	0.000	1.353
CHELPG
AIM
ESP

	x	y	z
x	3.828	1.215	0.000
y	1.215	4.987	0.000
z	0.000	0.000	2.115

<r²>	82.264
(<r²>)^1/2	9.070