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	hartrees
Energy at 0K	-958.047151
Energy at 298.15K	-958.047628
HF Energy	-958.047151
Nuclear repulsion energy	145.858832

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	778	747	113.79
2	A'	536	515	54.17
3	A'	260	249	2.81

Atom	x (Å)	y (Å)
S1	0.000	0.828
F2	1.596	0.445
Cl3	-0.845	-1.015

	S1	F2	Cl3
S1		1.6416	2.0280
F2	1.6416		2.8443
Cl3	2.0280	2.8443

Number	Element	Mulliken
1	S	0.342
2	F	-0.305
3	Cl	-0.037

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

using model chemistry: B3PW91/6-31+G**

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
	-0.965	0.616	0.000	1.145
CHELPG
AIM
ESP

	x	y	z
x	4.660	1.226	0.000
y	1.226	5.425	0.000
z	0.000	0.000	3.157

<r²>	84.225
(<r²>)^1/2	9.177