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	hartrees
Energy at 0K	-598.023354
Energy at 298.15K	-598.022980
HF Energy	-598.023354
Nuclear repulsion energy	86.010702

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1246	1246	308.81
2	A'	772	772	275.99
3	A'	461	461	16.48

Atom	x (Å)	y (Å)
C1	0.000	0.906
F2	1.277	0.753
Cl3	-0.676	-0.718

	C1	F2	Cl3
C1		1.2865	1.7589
F2	1.2865		2.4452
Cl3	1.7589	2.4452

Number	Element	Mulliken
1	C	0.121
2	F	-0.092
3	Cl	-0.029

All results from a given calculation for CFCl (chlorofluoromethylene)

using model chemistry: M06-2X/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
	0.535	-0.345	0.000	0.637
CHELPG
AIM
ESP

	x	y	z
x	2.937	1.366	0.000
y	1.366	4.467	0.000
z	0.000	0.000	1.878

<r²>	55.986
(<r²>)^1/2	7.482