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	hartrees
Energy at 0K	-673.269944
Energy at 298.15K	-673.270600
HF Energy	-673.269944
Nuclear repulsion energy	146.273496

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1854	1783	346.42
2	A'	1053	1013	387.57
3	A'	698	671	93.42
4	A'	455	438	1.87
5	A'	377	363	1.92
6	A"	612	589	20.91

Atom	x (Å)	y (Å)
C1	0.000	0.538
O2	-0.811	1.416
Cl3	-0.339	-1.243
F4	1.361	0.730

	C1	O2	Cl3	F4
C1		1.1958	1.8123	1.3747
O2	1.1958		2.7007	2.2780
Cl3	1.8123	2.7007		2.6042
F4	1.3747	2.2780	2.6042

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.522		O2	C1	F4	124.655
Cl3	C1	F4	108.823

All results from a given calculation for COFCl (Carbonic chloride fluoride)

using model chemistry: B3LYP/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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Number	Element	Mulliken
1	C	0.353
2	O	-0.266
3	Cl	0.141
4	F	-0.228

	x	y	z	Total
	0.325	-0.790	0.000	0.854
CHELPG
AIM
ESP

	x	y	z
x	2.904	0.028	0.000
y	0.028	5.129	0.000
z	0.000	0.000	1.410

<r²>	0.000
(<r²>)^1/2	0.000