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	hartrees
Energy at 0K	-958.301132
Energy at 298.15K	-958.301635
HF Energy	-958.301132
Nuclear repulsion energy	146.096773

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	798	798	101.54
2	A'	549	549	46.10
3	A'	261	261	1.87

Atom	x (Å)	y (Å)
S1	0.000	0.831
F2	1.594	0.425
Cl3	-0.844	-1.007

	S1	F2	Cl3
S1		1.6453	2.0230
F2	1.6453		2.8276
Cl3	2.0230	2.8276

Number	Element	Mulliken
1	S	0.311
2	F	-0.408
3	Cl	0.098

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

using model chemistry: B1B95/daug-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
	-0.874	0.497	0.000	1.006
CHELPG
AIM
ESP

	x	y	z
x	5.767	1.114	0.000
y	1.114	6.535	0.000
z	0.000	0.000	4.436

<r²>	83.595
(<r²>)^1/2	9.143