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	hartrees
Energy at 0K	-596.274005
Energy at 298.15K	-596.273595
HF Energy	-596.274005
Nuclear repulsion energy	85.822458

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1196	1184	264.61
2	A'	741	733	213.94
3	A'	437	433	17.88

Atom	x (Å)	y (Å)
C1	0.000	0.904
F2	1.281	0.756
Cl3	-0.678	-0.720

	C1	F2	Cl3
C1		1.2900	1.7598
F2	1.2900		2.4536
Cl3	1.7598	2.4536

Number	Element	Mulliken
1	C	0.004
2	F	-0.033
3	Cl	0.029

All results from a given calculation for CFCl (chlorofluoromethylene)

using model chemistry: SVWN/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
	0.646	-0.614	0.000	0.891
CHELPG
AIM
ESP

	x	y	z
x	3.094	1.462	0.000
y	1.462	4.707	0.000
z	0.000	0.000	1.931

<r²>	56.180
(<r²>)^1/2	7.495