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	hartrees
Energy at 0K	-673.316344
Energy at 298.15K	-673.317152
HF Energy	-673.316344
Nuclear repulsion energy	151.443484

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1983	1881	394.74
2	A'	1171	1111	428.61
3	A'	779	739	97.16
4	A'	505	479	0.56
5	A'	415	393	1.06
6	A"	678	643	20.13

Atom	x (Å)	y (Å)
C1	0.000	0.508
O2	-0.815	1.358
Cl3	-0.307	-1.200
F4	1.304	0.720

	C1	O2	Cl3	F4
C1		1.1773	1.7354	1.3207
O2	1.1773		2.6078	2.2126
Cl3	1.7354	2.6078		2.5057
F4	1.3207	2.2126	2.5057

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.020		O2	C1	F4	124.580
Cl3	C1	F4	109.400

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

using model chemistry: mPW1PW91/6-31G*

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	0.480
2	O	-0.329
3	Cl	0.050
4	F	-0.200

	x	y	z	Total
	0.667	-0.929	0.000	1.144
CHELPG
AIM
ESP

	x	y	z
x	3.046	-0.058	0.000
y	-0.058	4.848	0.000
z	0.000	0.000	1.906

<r²>	0.000
(<r²>)^1/2	0.000