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	hartrees
Energy at 0K	-958.084099
Energy at 298.15K	-958.084439
HF Energy	-958.084099
Nuclear repulsion energy	136.338390

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	750	710	44.76
2	A'	466	441	28.67
3	A'	208	197	2.96

Atom	x (Å)	y (Å)
S1	0.000	0.899
F2	1.686	0.482
Cl3	-0.893	-1.101

	S1	F2	Cl3
S1		1.7372	2.1902
F2	1.7372		3.0262
Cl3	2.1902	3.0262

Number	Element	Mulliken
1	S	0.498
2	F	-0.354
3	Cl	-0.144

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

using model chemistry: mPW1PW91/6-31G

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
x	4.308	1.849	0.000
y	1.849	5.659	0.000
z	0.000	0.000	1.394

<r²>	93.900
(<r²>)^1/2	9.690