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	hartrees
Energy at 0K	-958.236826
Energy at 298.15K	-958.237305
HF Energy	-958.236826
Nuclear repulsion energy	146.116744

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	765	732	93.56
2	A'	530	507	58.38
3	A'	264	253	2.85

Atom	x (Å)	y (Å)
S1	0.000	0.830
F2	1.588	0.449
Cl3	-0.840	-1.018

	S1	F2	Cl3
S1		1.6326	2.0301
F2	1.6326		2.8368
Cl3	2.0301	2.8368

Number	Element	Mulliken
1	S	0.439
2	F	-0.321
3	Cl	-0.118

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

using model chemistry: mPW1PW91/6-311G**

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
	-0.979	0.767	0.000	1.244
CHELPG
AIM
ESP

	x	y	z
x	3.954	1.330	0.000
y	1.330	5.013	0.000
z	0.000	0.000	2.060

<r²>	84.094
(<r²>)^1/2	9.170