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	hartrees
Energy at 0K	-59.608621
Energy at 298.15K	-59.609444
HF Energy	-59.608621
Nuclear repulsion energy	58.353968

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1953	1782	527.99
2	A'	1158	1056	481.21
3	A'	773	706	71.02
4	A'	515	470	6.66
5	A'	406	370	3.42
6	A"	670	612	44.02

Atom	x (Å)	y (Å)
C1	0.000	0.515
O2	-0.800	1.389
Cl3	-0.333	-1.226
F4	1.339	0.737

	C1	O2	Cl3	F4
C1		1.1851	1.7717	1.3578
O2	1.1851		2.6558	2.2367
Cl3	1.7717	2.6558		2.5784
F4	1.3578	2.2367	2.5784

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.710		O2	C1	F4	123.034
Cl3	C1	F4	110.256

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

using model chemistry: HF/CEP-121G

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	0.245
2	O	-0.119
3	Cl	0.082
4	F	-0.208

	x	y	z	Total
	0.217	-1.294	0.000	1.312
CHELPG
AIM
ESP

	x	y	z
x	2.781	-0.056	0.000
y	-0.056	4.835	0.000
z	0.000	0.000	1.528

<r²>	0.000
(<r²>)^1/2	0.000