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	hartrees
Energy at 0K	-958.188749
Energy at 298.15K	-958.189237
HF Energy	-958.188749
Nuclear repulsion energy	146.138940

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	771	771	95.38
2	A'	540	540	57.78
3	A'	268	268	3.12

Atom	x (Å)	y (Å)
S1	0.000	0.831
F2	1.586	0.446
Cl3	-0.840	-1.018

	S1	F2	Cl3
S1		1.6320	2.0311
F2	1.6320		2.8330
Cl3	2.0311	2.8330

Number	Element	Mulliken
1	S	0.445
2	F	-0.324
3	Cl	-0.121

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

using model chemistry: wB97X-D/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
	-0.991	0.825	0.000	1.290
CHELPG
AIM
ESP

	x	y	z
x	3.933	1.321	0.000
y	1.321	4.987	0.000
z	0.000	0.000	2.044

<r²>	84.041
(<r²>)^1/2	9.167