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	hartrees
Energy at 0K	-673.512434
Energy at 298.15K	-673.513220
HF Energy	-673.512434
Nuclear repulsion energy	151.163254

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	1915	1855	404.66
2	A'	1079	1046	417.73
3	A'	757	734	90.15
4	A'	491	476	1.17
5	A'	407	394	0.43
6	A"	674	653	15.49

Atom	x (Å)	y (Å)
C1	0.000	0.511
O2	-0.798	1.367
Cl3	-0.320	-1.201
F4	1.314	0.713

	C1	O2	Cl3	F4
C1		1.1707	1.7412	1.3290
O2	1.1707		2.6123	2.2105
Cl3	1.7412	2.6123		2.5160
F4	1.3290	2.2105	2.5160

atom1	atom2	atom3	angle		atom1	atom2	atom3	angle
O2	C1	Cl3	126.449		O2	C1	F4	124.214
Cl3	C1	F4	109.337

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

using model chemistry: B3LYP/cc-pVQZ

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	0.453
2	O	-0.268
3	Cl	-0.006
4	F	-0.180

	x	y	z	Total
	0.458	-1.172	0.000	1.259
CHELPG
AIM
ESP

	x	y	z
x	4.090	-0.005	0.000
y	-0.005	5.779	0.000
z	0.000	0.000	2.984

<r²>	0.000
(<r²>)^1/2	0.000