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	hartrees
Energy at 0K	-958.260418
Energy at 298.15K	-958.260954
HF Energy	-958.260418
Nuclear repulsion energy	148.186968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	813	813	109.04
2	A'	563	563	47.61
3	A'	278	278	1.65

Atom	x (Å)	y (Å)
S1	0.000	0.818
F2	1.563	0.448
Cl3	-0.827	-1.008

	S1	F2	Cl3
S1		1.6059	2.0046
F2	1.6059		2.7984
Cl3	2.0046	2.7984

Number	Element	Mulliken
1	S	0.365
2	F	-0.258
3	Cl	-0.107

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

using model chemistry: wB97X-D/cc-pVQZ

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
	-0.671	0.438	0.000	0.801
CHELPG
AIM
ESP

	x	y	z
x	5.046	1.140	0.000
y	1.140	6.004	0.000
z	0.000	0.000	3.609

<r²>	81.897
(<r²>)^1/2	9.050