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	hartrees
Energy at 0K	-596.681977
Energy at 298.15K	-596.681643
HF Energy	-596.681977
Nuclear repulsion energy	86.682958

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1348	1217	306.51
2	A'	817	737	284.48
3	A'	488	441	15.51

Atom	x (Å)	y (Å)
C1	0.000	0.895
F2	1.267	0.752
Cl3	-0.671	-0.714

	C1	F2	Cl3
C1		1.2754	1.7431
F2	1.2754		2.4305
Cl3	1.7431	2.4305

Number	Element	Mulliken
1	C	0.294
2	F	-0.239
3	Cl	-0.054

All results from a given calculation for CFCl (chlorofluoromethylene)

using model chemistry: HF/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	Total
	0.497	-0.193	0.000	0.533
CHELPG
AIM
ESP

	x	y	z
x	2.732	1.126	0.000
y	1.126	3.816	0.000
z	0.000	0.000	1.942

<r²>	55.273
(<r²>)^1/2	7.435