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	hartrees
Energy at 0K	-590.797523
Energy at 298.15K	-590.797057
HF Energy	-590.761085
Nuclear repulsion energy	81.627192

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1387	1387	120.47
2	A'	792	792	127.47
3	A'	430	430	9.11

Atom	x (Å)	y (Å)
C1	0.000	0.991
F2	1.311	0.811
Cl3	-0.694	-0.779

	C1	F2	Cl3
C1		1.3231	1.9014
F2	1.3231		2.5587
Cl3	1.9014	2.5587

Number	Element	Mulliken
1	C	0.188
2	F	0.016
3	Cl	-0.204

All results from a given calculation for CFCl (chlorofluoromethylene)

using model chemistry: B2PLYP/STO-3G

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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	x	y	z	Total
	1.858	1.084	0.000	2.151
CHELPG
AIM
ESP

	x	y	z
x	1.691	1.137	0.000
y	1.137	2.436	0.000
z	0.000	0.000	0.713

<r²>	58.903
(<r²>)^1/2	7.675