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	hartrees
Energy at 0K	-958.230833
Energy at 298.15K	-958.231335
HF Energy	-958.230833
Nuclear repulsion energy	145.746359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	795	762	100.61
2	A'	549	527	45.56
3	A'	262	251	1.78

Atom	x (Å)	y (Å)
S1	0.000	0.832
F2	1.599	0.430
Cl3	-0.847	-1.010

	S1	F2	Cl3
S1		1.6486	2.0273
F2	1.6486		2.8384
Cl3	2.0273	2.8384

Number	Element	Mulliken
1	S	0.558
2	F	-0.400
3	Cl	-0.158

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

using model chemistry: mPW1PW91/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
	-0.867	0.483	0.000	0.992
CHELPG
AIM
ESP

	x	y	z
x	5.614	1.117	0.000
y	1.117	6.342	0.000
z	0.000	0.000	4.192

<r²>	83.999
(<r²>)^1/2	9.165