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	hartrees
Energy at 0K	-958.143477
Energy at 298.15K	-958.144007
HF Energy	-958.143477
Nuclear repulsion energy	146.281240

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	830	830	103.99
2	A'	556	556	44.22
3	A'	271	271	2.11

Atom	x (Å)	y (Å)
S1	0.000	0.838
F2	1.584	0.415
Cl3	-0.839	-1.008

	S1	F2	Cl3
S1		1.6396	2.0276
F2	1.6396		2.8096
Cl3	2.0276	2.8096

Number	Element	Mulliken
1	S	0.567
2	F	-0.416
3	Cl	-0.151

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

using model chemistry: M06-2X/aug-cc-pVDZ

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
	-0.855	0.579	0.000	1.032
CHELPG
AIM
ESP

	x	y	z
x	5.474	1.101	0.000
y	1.101	6.313	0.000
z	0.000	0.000	4.148

<r²>	83.391
(<r²>)^1/2	9.132